SCHEMBL7334501

SCHEMBL7334501

CCCn1nc(CCC2CCCCC2)nc1Cc1ccc(-c2cccnc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 3/20 0.44
BRS3 P32247 3/20 0.39
MME P08473 1/20 0.35

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
SCHEMBL7333385 0.95 AGTR1 (0.46) AGTR1AGTR2BRS3MME
SCHEMBL7342216 0.94 AGTR1 (0.46) AGTR1AGTR2BRS3MME
SCHEMBL8193494 0.93 AGTR1 (0.44) AGTR1AGTR2BRS3MME
SCHEMBL7333245 0.92 AGTR1 (0.43) AGTR1AGTR2BRS3MME
SCHEMBL7334234 0.88 AGTR1 (0.50) AGTR1AGTR2BRS3
SCHEMBL7333131 0.87 BRS3 (0.39) AGTR1AGTR2BRS3
SCHEMBL7336490 0.87 AGTR1 (0.46) AGTR1AGTR2BRS3MME
SCHEMBL7344811 0.86 AGTR1 (0.45) AGTR1AGTR2BRS3MME
SCHEMBL8842107 0.86 AGTR1 (0.55) AGTR1AGTR2MME
SCHEMBL7335811 0.86 AGTR1 (0.55) AGTR1AGTR2BRS3

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
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