SCHEMBL7340629

SCHEMBL7340629

CCCCCn1nc(-c2ccccc2)nc1Cc1ccc(-c2cnccc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.51
AGTR1 P30556 12/20 0.45
AGTR2 P50052 10/20 0.45
NR1H3 Q13133 1/20 0.42

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 0.97 LTB4R2 (0.52) LTB4R2AGTR1AGTR2NR1H3
SCHEMBL7337229 0.93 LTB4R2 (0.48) LTB4R2AGTR1AGTR2
SCHEMBL7334275 0.93 AGTR1 (0.45) LTB4R2AGTR1AGTR2NR1H3
SCHEMBL7336386 0.90 AGTR1 (0.48) LTB4R2AGTR1AGTR2NR1H3
SCHEMBL9552227 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL7333902 0.89 LTB4R2 (0.51) LTB4R2AGTR1AGTR2
SCHEMBL9552420 0.89 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL7341429 0.88 LTB4R2 (0.49) LTB4R2AGTR1AGTR2
SCHEMBL7337077 0.88 LTB4R2 (0.48) LTB4R2AGTR1AGTR2
SCHEMBL7341699 0.87 LTB4R2 (0.48) 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