SCHEMBL7340203

SCHEMBL7340203

CCCCCn1nc(C(=O)Cc2ccccc2)nc1Cc1ccc(-c2ccccc2C(=O)O)nc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.44
AGTR2 P50052 13/20 0.44
PPARG P37231 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
SCHEMBL7340042 0.97 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7334207 0.94 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL7335790 0.94 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL7334160 0.93 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL7335973 0.93 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL7337598 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7342445 0.90 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL7333616 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7334874 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9552419 0.89 AGTR1 (0.53) AGTR1AGTR2PPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
US-5451593-A Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5451591-A Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5196537-A Angiotensin/II/ antagonists; hypotensive agents G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed