SCHEMBL79038

SCHEMBL79038

Cc1cccc(C)c1NC(=O)CN1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.88
KMT2A Q03164 4/20 0.88
CYP3A4 P08684 3/20 0.88
CYP2D6 P10635 3/20 0.88
ADRB1 P08588 2/20 0.88
ADRA2A P08913 2/20 0.88
ADRA2B P18089 2/20 0.88
ADRA2C P18825 2/20 0.88
ADRA1A P35348 2/20 0.88
DRD3 P35462 2/20 0.88
HTR2B P41595 2/20 0.88
KCNH2 Q12809 2/20 0.88
LMNA P02545 2/20 0.88
MLNR O43193 1/20 0.88
NR1I2 O75469 1/20 0.88
USP2 O75604 1/20 0.88
CYP1A2 P05177 1/20 0.88
PGR P06401 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
CYP2C9 P11712 1/20 0.88

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
Lidoflazine SCHEMBL79037 0.94 ADRA1A (1.00) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL10680817 0.84 CYP3A4 (0.67) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL10558316 0.83 ADRA1A (0.80) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL10683725 0.82 ADRA1A (0.76) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL10676648 0.81 ADRA1A (0.73) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL2327539 0.80 ALDH1A1 (0.64) MEN1KMT2ACYP3A4CYP2D6ADRB1
Hydrochloric Acid SCHEMBL10675752 0.80 ADRA1A (0.71) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL10676097 0.79 ADRA1A (0.70) MEN1KMT2ACYP3A4CYP2D6ADRB1
Lidoflazine SCHEMBL28086565 0.79 ADRA1A (0.71) MEN1KMT2ACYP3A4CYP2D6ADRB1
SCHEMBL4500966 0.79 MEN1 (0.72) MEN1KMT2ACYP3A4CYP2D6ADRB1

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 5422 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299348-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. 2024-09-12 US claimed
US-12004868-B2 Liposomal mitigation of drug-induced inhibition of the cardiac IKr channel SIGNPATH PHARMA INC. (US) 2024-06-11 US claimed
WO-2024102612-A1 COMPOUNDS AND METHODS FOR IDENTIFYING COMPOUNDS FOR MODULATING GLUCOSE TRANSPORT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-16 WO claimed
US-20230414575-A1 MK2 ACTIVATING COMPOUNDS FOR USE IN TREATING VASCULAR LEAK AND ENDOTHELIAL BARRIER DISORDERS AKTTYVA THERAPEUTICS INC (US) 2023-12-28 US claimed
US-20230381161-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION The George Institute for Global Health (AU) 2023-11-30 US claimed
WO-2023183932-A2 MONOBODIES BINDING TO INTERCELLULAR ADHESION MOLECULE 2 (ICAM-2) NEW YORK UNIVERSITY (US) 2023-09-28 WO claimed
EP-4244341-A2 MK2 ACTIVATING COMPOUNDS FOR USE IN TREATING VASCULAR LEAK AND ENDOTHELIAL BARRIER DISORDERS Akttyva Therapeutics, Inc. (US) 2023-09-20 EP claimed
US-20230233483-A1 COMPOUND AND METHOD FOR THE TREATMENT OF CORONAVIRUSES APTEEUS (FR) 2023-07-27 US claimed
US-20230126310-A1 COMPOSITIONS FOR CORONAVIRUS INFECTION TREATMENT AND/OR PREVENTION FRAUNHOFER GES FORSCHUNG (DE) 2023-04-27 US claimed
US-20230125076-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION The George Institute for Global Health (AU) 2023-04-27 US claimed
WO-1988004553-A1 TREATMENT OF CARDIOVASCULAR AND CEREBRAL TOXICITY USING CALCIUM MODULATORS NAHAS GABRIEL GEORGES (US) 1988-06-30 WO claimed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP claimed
EP-0188595-A1 A DRUG KIT OR DRUG COMPOSITION FOR USE IN PREVENTING AND TREATING ISCHAEMIC CELL DAMAGE AND PREPARATION THEREOF PHARMACIA AKTIEBOLAG (SE) 1986-07-30 EP claimed
US-4584294-A Fused tricyclic lactams as angiotensin converting enzyme inhibitors and as antihypertensive agents MERCK & CO., INC. (US) 1986-04-22 US claimed
WO-1986000812-A1 A DRUG KIT OR DRUG COMPOSITION FOR USE IN PREVENTING AND TREATING ISCHAEMIC CELL DAMAGE AND PREPARATION THEREOF PHARMACIA AB (SE) 1986-02-13 WO claimed
EP-0166353-A2 Benzofused lactams useful as antihypertensive agents and as cholecystokinin antagonists MERCK & CO. INC. (US) 1986-01-02 EP claimed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP claimed
US-4500530-A ADMINISTERING LIDOFLAZINE, FLUNARIZINE OR CINNARIZINE RHEOTECH LABS, INC. 1985-02-19 US claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed