SCHEMBL9738129

SCHEMBL9738129

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
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
SCHEMBL9738516 0.93 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9738134 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9738276 0.92 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9737978 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9739512 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9738519 0.86 AGTR1 (0.42) AGTR1
SCHEMBL9738653 0.86 TRPV1 (0.35)
SCHEMBL9738432 0.85 AGTR1 (0.35) AGTR1
SCHEMBL9738503 0.85 TRPV1 (0.36)
SCHEMBL9738491 0.84 AGTR1 (0.48) 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