SCHEMBL9739416

SCHEMBL9739416

CCCOC(CCC)(OCCC)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CCC)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43
AGTR2 P50052 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
SCHEMBL9738186 0.95 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9739390 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9738349 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9552190 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9740825 0.92 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9738050 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9738133 0.90 AGTR1 (0.42) AGTR1
SCHEMBL9739068 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9738602 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9738646 0.90 AGTR1 (0.42) 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