SCHEMBL9739176

SCHEMBL9739176

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 2/20 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
SCHEMBL9739015 0.94 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9739317 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9739085 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9739938 0.89 AGTR1 (0.35) AGTR1
SCHEMBL9739375 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9738044 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9739156 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9738787 0.86 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9738273 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9738050 0.85 AGTR1 (0.37) 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