SCHEMBL7342012

SCHEMBL7342012

CCCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)nc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 3/20 0.44
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
SCHEMBL7343582 0.98 AGTR1 (0.41) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL7340804 0.95 BRS3 (0.39) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9552881 0.90 AGTR1 (0.52) AGTR1AGTR2LTB4R2MME
SCHEMBL9381497 0.90 AGTR1 (0.45) AGTR1AGTR2MME
SCHEMBL9383060 0.89 AGTR1 (0.44) AGTR1AGTR2BRS3MME
SCHEMBL7341378 0.89 AGTR1 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL9380624 0.88 BRS3 (0.41) AGTR1AGTR2BRS3
SCHEMBL7332250 0.88 AGTR1 (0.45) AGTR1AGTR2LTB4R2BRS3MME
SCHEMBL9552901 0.88 AGTR1 (0.49) AGTR1AGTR2LTB4R2MME
SCHEMBL7337598 0.87 AGTR1 (0.47) 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 7 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-5846987-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1998-12-08 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