SCHEMBL9738101

SCHEMBL9738101

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.42
AGTR2 P50052 1/20 0.35

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
SCHEMBL9739175 0.95 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9739279 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9739317 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9723339 0.90 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9739085 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9740212 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9739460 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552815 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9739338 0.86 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9739375 0.85 AGTR1 (0.49) 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 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