SCHEMBL9738799

SCHEMBL9738799

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
AGTR2 P50052 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL9738097 0.95 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9738349 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9739390 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9739655 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552289 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9738665 0.91 AGTR1 (0.36) AGTR1
SCHEMBL9738697 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9738295 0.90 AGTR1 (0.41) AGTR1
SCHEMBL9738725 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9552719 0.89 AGTR1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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