SCHEMBL6560024

SCHEMBL6560024

Cc1cc(C(=O)Nc2ccnc3[nH]ncc23)ccc1C(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.44
ROCK2 O75116 3/20 0.40
GSK3B P49841 3/20 0.40
BTK Q06187 2/20 0.40
CIT O14578 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MARK3 P27448 1/20 0.40
BMPR1A P36894 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
CDK9 P50750 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL6558134 0.88 DHPS (0.43) DHPSROCK2GSK3BBTKCIT
SCHEMBL6560002 0.88 DHPS (0.43) DHPSROCK2GSK3BBTKCIT
SCHEMBL6558083 0.88 DHPS (0.43) DHPSROCK2GSK3BBTKCIT
SCHEMBL6557761 0.87 DHPS (0.45) DHPSROCK2GSK3BBTKCIT
SCHEMBL6560252 0.85 DHPS (0.41) DHPSROCK2GSK3BBTKCIT
SCHEMBL6559132 0.85 ROCK2 (0.58) DHPSROCK2GSK3BCITPRKD3
SCHEMBL6558091 0.82 PRKCQ (0.39) DHPSROCK2GSK3BBTKCIT
SCHEMBL6559960 0.82 GSK3B (0.49) DHPSROCK2GSK3BCITPRKD3
SCHEMBL6558038 0.79 ROCK2 (0.36) DHPSROCK2GSK3BBTKCIT
SCHEMBL14705855 0.78 LMNA (0.48) DHPSROCK2GSK3BCITPRKD3

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed