SCHEMBL7334871

SCHEMBL7334871

CCCCCn1nc(C(F)(F)CCC)nc1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.43
AGTR2 P50052 12/20 0.43
PPARG P37231 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
SCHEMBL7337866 0.97 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7342561 0.94 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9553255 0.89 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7342150 0.89 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9552307 0.89 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL7335845 0.88 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL8841902 0.87 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9553174 0.86 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL7336583 0.86 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL7333554 0.86 AGTR1 (0.42) 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