SCHEMBL7334151

SCHEMBL7334151

CCCC(=O)c1nc(Cc2ccc(-c3ccncc3C(=O)O)cc2)n(CCC)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.40
PPARG P37231 2/20 0.40
AGTR2 P50052 3/20 0.39
KDM4C Q9H3R0 5/20 0.38
LTB4R2 Q9NPC1 2/20 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
SCHEMBL7343651 0.94 LTB4R2 (0.42) AGTR1PPARGAGTR2LTB4R2
SCHEMBL7336494 0.94 AGTR1 (0.43) AGTR1PPARGAGTR2LTB4R2
SCHEMBL7334252 0.94 AGTR1 (0.41) AGTR1PPARGAGTR2KDM4CLTB4R2
SCHEMBL7344498 0.93 AGTR1 (0.39) AGTR1PPARGAGTR2KDM4CLTB4R2
SCHEMBL7338538 0.92 LTB4R2 (0.46) AGTR1PPARGAGTR2KDM4CLTB4R2
SCHEMBL7336620 0.91 AGTR1 (0.44) AGTR1PPARGAGTR2KDM4CLTB4R2
SCHEMBL7343731 0.91 AGTR1 (0.43) AGTR1PPARGAGTR2LTB4R2
SCHEMBL7337073 0.90 LTB4R2 (0.42) AGTR1PPARGAGTR2LTB4R2
SCHEMBL7339392 0.88 AGTR1 (0.44) AGTR1PPARGAGTR2LTB4R2
SCHEMBL9554033 0.87 AGTR1 (0.52) AGTR1PPARGAGTR2LTB4R2

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