SCHEMBL7344915

SCHEMBL7344915

CCCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.43
AGTR1 P30556 6/20 0.40
AGTR2 P50052 4/20 0.40
BRS3 P32247 3/20 0.38
MME P08473 1/20 0.38
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL7334773 0.97 LTB4R2 (0.43) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL7343001 0.94 LTB4R2 (0.41) LTB4R2AGTR1AGTR2BRS3KDM4C
SCHEMBL7345747 0.93 AGTR1 (0.40) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL7334298 0.93 LTB4R2 (0.41) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL7336093 0.91 AGTR1 (0.42) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL7342225 0.90 AGTR1 (0.42) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL9553732 0.89 AGTR1 (0.51) LTB4R2AGTR1AGTR2BRS3MME
SCHEMBL7336207 0.89 AGTR1 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7336047 0.89 AGTR1 (0.50) LTB4R2AGTR1AGTR2
SCHEMBL9552538 0.88 AGTR1 (0.51) LTB4R2AGTR1AGTR2BRS3MME

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