SCHEMBL7344428

SCHEMBL7344428

CCCn1nc(CC)nc1Cc1ccc(-c2ccccc2C(=O)O)nc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.42
AGTR2 P50052 8/20 0.42
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
SCHEMBL8187749 0.94 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7342417 0.93 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL7343332 0.93 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL7338421 0.93 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL7333104 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL7339664 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7344365 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL8192293 0.91 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL7334120 0.89 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL7335743 0.89 BRS3 (0.44) 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