SCHEMBL7343239

SCHEMBL7343239

CCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.38
ALDH1A1 P00352 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HCRTR2 O43614 1/20 0.34

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
SCHEMBL7342501 0.95 AGTR1 (0.41) BRS3AGTR1AGTR2LTB4R2
SCHEMBL8188390 0.94 AGTR1 (0.38) BRS3AGTR1AGTR2LTB4R2
SCHEMBL7333131 0.92 BRS3 (0.39) BRS3ALDH1A1AGTR1AGTR2
SCHEMBL7334514 0.88 AGTR1 (0.41) BRS3AGTR1AGTR2LTB4R2
SCHEMBL7362349 0.87 ALDH1A1 (0.35) BRS3ALDH1A1AGTR1AGTR2LTB4R2
SCHEMBL7332613 0.87 KDM4E (0.40) AGTR1AGTR2HCRTR2
SCHEMBL7333245 0.87 AGTR1 (0.43) BRS3AGTR1AGTR2LTB4R2
SCHEMBL8177702 0.87 AGTR1 (0.39) BRS3AGTR1AGTR2LTB4R2
SCHEMBL7333254 0.87 LTB4R2 (0.37) BRS3ALDH1A1AGTR1AGTR2LTB4R2
SCHEMBL9552249 0.86 BRS3 (0.49) BRS3AGTR1AGTR2LTB4R2

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 5 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
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