SCHEMBL7344191

SCHEMBL7344191

CCCCCc1nc(Cc2ccc(-c3ccccc3C(=O)O)nc2)n(CCCCC)n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.53
AGTR2 P50052 11/20 0.53
PPARG P37231 3/20 0.45

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
SCHEMBL7335642 0.98 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7341450 0.98 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7340090 0.96 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL7344365 0.96 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL7343401 0.95 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7341445 0.95 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL7333104 0.94 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7342976 0.94 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL7342417 0.94 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL7334374 0.93 AGTR1 (0.46) AGTR1AGTR2

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