SCHEMBL7345320

SCHEMBL7345320

CCCCCn1nc(CCC2CCCCC2)nc1Cc1ccc(-c2ccncc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 6/20 0.40
BRS3 P32247 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.37
MME P08473 1/20 0.36

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
SCHEMBL7336564 0.98 AGTR1 (0.42) AGTR1AGTR2BRS3LTB4R2MME
SCHEMBL7341239 0.94 BRS3 (0.41) AGTR1AGTR2BRS3
SCHEMBL7334298 0.94 LTB4R2 (0.41) AGTR1AGTR2BRS3LTB4R2MME
SCHEMBL7345747 0.93 AGTR1 (0.40) AGTR1AGTR2BRS3LTB4R2MME
SCHEMBL7342225 0.91 AGTR1 (0.42) AGTR1AGTR2BRS3LTB4R2MME
SCHEMBL7336093 0.90 AGTR1 (0.42) AGTR1AGTR2BRS3LTB4R2MME
SCHEMBL9552103 0.90 AGTR1 (0.51) AGTR1AGTR2BRS3LTB4R2
SCHEMBL9553291 0.89 AGTR1 (0.51) AGTR1AGTR2BRS3LTB4R2
SCHEMBL7342957 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7334167 0.88 AGTR1 (0.50) AGTR1AGTR2

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