SCHEMBL9723339

SCHEMBL9723339

CCCn1nc(C(C)C)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL9552935 0.94 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9552332 0.93 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9552815 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9552070 0.92 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9552624 0.91 AGTR1 (0.41) AGTR1PPARG
SCHEMBL9738101 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552384 0.89 CNR2 (0.44) AGTR1AGTR2PPARG
SCHEMBL7335984 0.89 AGTR1 (0.37) AGTR1
SCHEMBL7341359 0.89 AGTR1 (0.35) AGTR1
SCHEMBL9552752 0.89 AGTR1 (0.39) AGTR1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed