SCHEMBL7343755

SCHEMBL7343755

CCCCCc1nc(Cc2ccc(-c3cccnc3C(=O)O)cc2)n(CCCC)n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.54
AGTR2 P50052 8/20 0.52
BRS3 P32247 1/20 0.41

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
SCHEMBL7336850 0.98 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL7335951 0.97 AGTR1 (0.58) AGTR1AGTR2BRS3
SCHEMBL7337513 0.96 AGTR1 (0.54) AGTR1AGTR2BRS3
SCHEMBL7340193 0.96 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL7342315 0.95 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL7341865 0.94 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL7335811 0.93 AGTR1 (0.55) AGTR1AGTR2BRS3
SCHEMBL7345793 0.93 AGTR1 (0.53) AGTR1AGTR2BRS3
SCHEMBL7335783 0.92 AGTR1 (0.52) AGTR1AGTR2BRS3
SCHEMBL7344637 0.92 AGTR1 (0.50) 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 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