SCHEMBL9738672

SCHEMBL9738672

CCCCNC(=O)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CC(CC)CC)n1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38

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
SCHEMBL9738438 0.95 AGTR1 (0.36) AGTR1
SCHEMBL9738432 0.92 AGTR1 (0.35) AGTR1
SCHEMBL9738893 0.90 AGTR1 (0.47) AGTR1
SCHEMBL9737852 0.90 AGTR1 (0.44) AGTR1
SCHEMBL9739869 0.90 AGTR1 (0.36) AGTR1
SCHEMBL9738700 0.88 AGTR1 (0.39) AGTR1
SCHEMBL9738571 0.88 AGTR1 (0.35) AGTR1
SCHEMBL9738272 0.87 AGTR1 (0.35) AGTR1
SCHEMBL9739973 0.87 AGTR1 (0.47) AGTR1
SCHEMBL9738276 0.86 AGTR1 (0.38) AGTR1

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