SCHEMBL33618

SCHEMBL33618

CCC(C)C1NC(=O)C2CSSCC(NC(=O)C(CC(C)C)NC(=O)C3CSSCC(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)N3)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C(C)C)C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)N3CCCC3C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(Cc3cnc[nH]3)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)N3CCCC3C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O)C(C)CC)C(C)O)C(C)O)C(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)N2

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.75
NPY2R P49146 13/20 0.62
RXFP1 Q9HBX9 1/20 0.62
PRLHR P49683 3/20 0.61
KCNMA1 Q12791 1/20 0.59
KCNMB4 Q86W47 1/20 0.59
NPFFR2 Q9Y5X5 1/20 0.59
MC4R P32245 1/20 0.59
MC1R Q01726 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL63125 0.87 INSR (0.98) INSRNPY2RRXFP1KCNMA1KCNMB4
SCHEMBL15669703 0.86 INSR (0.95) INSRNPY2RRXFP1KCNMA1KCNMB4
SCHEMBL14840198 0.85 INSR (0.93) INSRNPY2RRXFP1KCNMA1KCNMB4
Calcitonin Human SCHEMBL29381354 0.82 INSR (0.63) INSRNPY2RPRLHRNPFFR2
Calcitonin Salmon SCHEMBL29392873 0.81 INSR (0.64) INSRNPY2R
Calcitonin Salmon SCHEMBL269785 0.81 INSR (0.64) INSRNPY2R
Procalcitonin SCHEMBL29357049 0.81 INSR (0.62) INSRNPY2RPRLHR
SCHEMBL30888738 0.81 NPY2R (0.63) INSRNPY2R
Insulin Detemir SCHEMBL29350489 0.81 INSR (0.82) INSRNPY2RRXFP1KCNMA1KCNMB4
SCHEMBL29385832 0.80 MC4R (0.72) INSRNPY2RRXFP1PRLHRKCNMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 9102 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4398874-A1 INJECTABLE HIGH CONCENTRATION PHARMACEUTICAL FORMULATIONS AND METHODS OF MANUFACTURING AND USE THEREOF Xeris Pharmaceuticals, Inc. (US) 2024-07-17 EP claimed
CN-118317807-A Controlled wash recovery using tissue plasminogen activator (tPA) 阿比奥梅德公司 2024-07-09 CN claimed
US-12029755-B2 Carbon monoxide-based therapies and implantable devices for the treatment of vascular disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-07-09 US claimed
US-20240216380-A1 BTK Inhibitors to Treat Solid Tumors Through Modulation of the Tumor Microenvironment ACERTA PHARMA BV (NL) 2024-07-04 US claimed
CN-118251491-A CRISPR/Cas related methods and compositions for knockout of C5 瑞泽恩制药公司 2024-06-25 CN claimed
US-20240189495-A1 METHODS OF PREPARING AN EXTRACORPOREAL CIRCUIT FOR ANTICOAGULATION LOWELL THERAPEUTICS, LLC 2024-06-13 US claimed
US-20240180904-A1 Methods of Treating Chronic Lymphocytic Leukemia and Small Lymphocytic Leukemia Using a BTK Inhibitor ACERTA PHARMA BV (NL) 2024-06-06 US claimed
CN-118103030-A Injectable high concentration pharmaceutical formulations and methods of making and using the same XERIS药物公司 2024-05-28 CN claimed
EP-4362959-A1 COMPOSITION AND PROCESS FOR AN INFILTRATION AND TRANSPORT MEDIUM FOR ADIPOSE TISSUE CELLS Universiteit Gent (BE) 2024-05-08 EP claimed
US-20240139027-A1 DIAGNOSTIC METHODS AND APPARATUS FORSIGHT VISION4, INC. 2024-05-02 US claimed
WO-2002049650-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
WO-2002049649-A2 PHARMACEUTICAL FORMULATION CONTAINING THIENOPYRIMIDINES AND ANTITHROMBOTICS, CALCIUM ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES (2) MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
WO-2002049651-A1 PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINES AND ANTITHROMBOTIC AGENTS, CALCIUM-ANTAGONISTS, PROSTAGLANDINS OR PROSTAGLANDIN DERIVATIVES MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
WO-2002043806-A2 IN VIVO DELIVERY METHODS AND COMPOSITIONS RHEOLOGICS, INC (US) 2002-06-06 WO claimed
US-20020061835-A1 Administering a drug to a human which is pharmaceutically effective to regulate at least one of the blood parameters used to adjust distribution of the drug through the bloodstream RHEOLOGICS, INC. 2002-05-23 US claimed
US-20020032149-A1 Monitoring blood flow parameter of bloodstream, administering substance to organism such that an amount of substance enters bloodstream; distributing portion of amount ofsubstance target within organism RHEOLOGICS, INC. 2002-03-14 US claimed
WO-2002019935-A1 METHOD AND SYSTEM FOR ANTICOAGULANT DOSE REVISION THE RXFILES CORPORATION (US) 2002-03-14 WO claimed
US-20010044584-A1 In vivo delivery methods and compositions RHEOLOGICS, INC. 2001-11-22 US claimed
US-20010038862-A1 Topical and transdermal administration of peptidyl durgs using hydroxide releasing agents as permeation enhancers TECHNOLOGY RECOVERY SYSTEMS, LLC 2001-11-08 US claimed
CN-1088836-A Lepirudin 023 ludon and complex thereof are used for preparation prevention and treatment thrombotic disease medicine BIOLOGY INST CHINESE ACADEMY O (CN) 1994-07-06 CN claimed