SCHEMBL7345747

SCHEMBL7345747

CCCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccncc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.40
AGTR2 P50052 4/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
BRS3 P32247 4/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL7336093 0.97 AGTR1 (0.42) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7339891 0.94 BRS3 (0.40) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7344915 0.93 LTB4R2 (0.43) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7345320 0.93 AGTR1 (0.40) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7334773 0.91 LTB4R2 (0.43) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7336564 0.90 AGTR1 (0.42) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9553732 0.89 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7334167 0.89 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7339059 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9552538 0.88 AGTR1 (0.51) AGTR1AGTR2LTB4R2BRS3MME

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