SCHEMBL9738432

SCHEMBL9738432

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

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
PPARG P37231 1/20 0.33
RIPK1 Q13546 1/20 0.33

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 0.94 AGTR1 (0.36) AGTR1
SCHEMBL9739869 0.93 AGTR1 (0.36) AGTR1
SCHEMBL9738672 0.92 AGTR1 (0.38) AGTR1
SCHEMBL9738571 0.91 AGTR1 (0.35) AGTR1PPARG
SCHEMBL9738272 0.90 AGTR1 (0.35) AGTR1RIPK1
SCHEMBL9738519 0.89 AGTR1 (0.42) AGTR1
SCHEMBL9738099 0.87 RIPK1 (0.35) AGTR1RIPK1
SCHEMBL9738491 0.87 AGTR1 (0.48) AGTR1
SCHEMBL9738544 0.87 SLC33A1 (0.38) AGTR1RIPK1
SCHEMBL9738079 0.87 RIPK1 (0.34) RIPK1

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