SCHEMBL41832

SCHEMBL41832

N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CPB2 Q96IY4 4/20 0.51
TRHDE Q9UKU6 1/20 0.50
KDM4C Q9H3R0 2/20 0.46
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43

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
SCHEMBL4956555 1.00 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL289025 1.00 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29057557 0.91 SLC7A5 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5717571 0.90 CPB2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19508937 0.88 CPB2 (0.43) SLC7A5CPB2TRHDECPB1
SCHEMBL6326552 0.86 SLC7A5 (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6527840 0.86 CDK5 (0.47) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL9871633 0.86 CPB2 (0.44) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL6069460 0.86 CDK5 (0.47) CPB2TRHDEKDM4CKDM5AKDM5B
Hydrochloric Acid SCHEMBL6527838 0.85 CDK5 (0.46) CPB2TRHDEKDM4CKDM5AKDM5B

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 2103 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171495-A1 MUTLI-TARGETED SERINE PROTEASE INHIBITORS FOR TREATMENT OF CANCER AND VIRAL INFECTION WASHINGTON UNIVERSITY 2025-05-29 US claimed
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US claimed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US claimed
US-20230303647-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US claimed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US claimed
CN-116390742-A Cyclic chemokine-9 derivatives 拜耳公司 2023-07-04 CN claimed
EP-4196143-A1 CYCLIC CHEMERIN-9 DERIVATIVES Bayer Aktiengesellschaft (DE) 2023-06-21 EP claimed
WO-2022034057-A1 CYCLIC CHEMERIN-9 DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-17 WO claimed
EP-1305334-B1 UROCORTIN PROTEINS AND USES THEREOF RES DEV FOUNDATION (US) 2008-09-17 EP claimed
US-20070191592-A1 Urocortin proteins and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2007-08-16 US claimed
WO-1999024604-A1 METHOD AND AGENT FOR DETERMINING AN ENZYMATIC ACTIVITY SUCH AS DEAMINASE BIO MERIEUX (FR) 1999-05-20 WO claimed
US-5834556-A RELEASE AGENTS FOR CELLS, MACROMOLECULES IN CULTURE VIVORX, INC. (US) 1998-11-10 US claimed
US-5578442-A Graft copolymers of polycationic species and water-soluble polymers, and use therefor VIVORX, INC. (US) 1996-11-26 US claimed
WO-1993018649-A1 GRAFT COPOLYMERS OF POLYCATIONIC SPECIES AND WATER-SOLUBLE POLYMERS, AND USES THEREOF CLOVER CONSOLIDATED, LIMITED (CH) 1993-09-30 WO claimed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP claimed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP claimed