SCHEMBL7340804

SCHEMBL7340804

CCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2ccccc2C(=O)O)nc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.39
AGTR1 P30556 4/20 0.38
AGTR2 P50052 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.36
MME P08473 1/20 0.36
PPARG P37231 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
SCHEMBL7342012 0.95 AGTR1 (0.44) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL7343582 0.94 AGTR1 (0.41) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9380624 0.89 BRS3 (0.41) BRS3AGTR1AGTR2PPARG
SCHEMBL7341321 0.88 LTB4R2 (0.39) BRS3AGTR1AGTR2LTB4R2PPARG
SCHEMBL9381497 0.88 AGTR1 (0.45) AGTR1AGTR2MME
SCHEMBL7336476 0.87 BRS3 (0.45) BRS3AGTR1AGTR2LTB4R2MME
SCHEMBL9383060 0.87 AGTR1 (0.44) BRS3AGTR1AGTR2MMEPPARG
SCHEMBL7343499 0.87 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL8841656 0.87 AGTR1 (0.43) BRS3AGTR1AGTR2PPARG
SCHEMBL7335820 0.87 BRS3 (0.40) BRS3AGTR1AGTR2LTB4R2MME

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