SCHEMBL7337229

SCHEMBL7337229

CCCn1nc(-c2ccccc2)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.48
AGTR1 P30556 6/20 0.43
AGTR2 P50052 3/20 0.43
KDM4C Q9H3R0 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PPARG P37231 2/20 0.42
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL7335003 0.94 LTB4R2 (0.52) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7340629 0.93 LTB4R2 (0.51) LTB4R2AGTR1AGTR2
SCHEMBL7334952 0.92 AGTR1 (0.43) LTB4R2AGTR1AGTR2KDM4CHDAC6
SCHEMBL9552365 0.89 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL7334230 0.88 LTB4R2 (0.48) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7340146 0.88 LTB4R2 (0.46) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7342853 0.87 LTB4R2 (0.46) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7336386 0.87 AGTR1 (0.48) LTB4R2AGTR1AGTR2PPARG
SCHEMBL7342509 0.86 LTB4R2 (0.46) LTB4R2AGTR1AGTR2KDM4CPPARG
SCHEMBL7334275 0.86 AGTR1 (0.45) LTB4R2AGTR1AGTR2

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