SCHEMBL7338588

SCHEMBL7338588

CCCCCc1nc(Cc2ccc(-c3cnccc3C(=O)O)cc2)n(CCCC)n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.50
AGTR2 P50052 10/20 0.49
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL7336207 0.98 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL7341481 0.97 AGTR1 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL7336047 0.96 AGTR1 (0.50) AGTR1AGTR2LTB4R2
SCHEMBL7341694 0.96 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL7345279 0.95 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL7336681 0.94 LTB4R2 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL7341719 0.93 AGTR1 (0.49) AGTR1AGTR2LTB4R2
SCHEMBL7345075 0.93 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7337857 0.92 LTB4R2 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL7342090 0.92 AGTR1 (0.50) AGTR1AGTR2LTB4R2

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