SCHEMBL9558451

SCHEMBL9558451

CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CN(C(=O)CC(=O)OCC)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.48
AGTR2 P50052 6/20 0.48
PPARG P37231 4/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL9044951 0.85 AGTR1 (0.45) AGTR1AGTR2PPARGKCNH2
SCHEMBL9044302 0.84 AGTR1 (0.44) AGTR1AGTR2PPARGKCNH2
SCHEMBL9046254 0.80 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9046859 0.80 AGTR1 (0.41) AGTR1AGTR2PPARGKCNH2
SCHEMBL9045623 0.80 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9558461 0.79 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9141625 0.79 AGTR1 (0.48) AGTR1AGTR2PPARGKCNH2
SCHEMBL9437299 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9583352 0.79 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9437285 0.78 AGTR1 (0.44) 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
JP-5279362-A None JP disclosed
JP-H05279362-A IMIDAZOPYRIDINE DERIVATIVE AND ITS PRODUCTION TANABE SEIYAKU CO LTD 1993-10-26 JP disclosed