SCHEMBL7336192

SCHEMBL7336192

CCCn1nc(CC(C)C)nc1Cc1ccc(-c2ccncc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.41
AGTR2 P50052 6/20 0.41
PPARG P37231 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
SCHEMBL7337288 0.94 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL7336975 0.94 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7332857 0.93 LTB4R2 (0.43) AGTR1AGTR2PPARG
SCHEMBL7343094 0.91 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL7345489 0.90 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL7335304 0.89 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL7341226 0.89 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL7335318 0.88 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9552364 0.87 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7336007 0.87 LTB4R2 (0.46) AGTR1AGTR2PPARG

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