SCHEMBL27366445

SCHEMBL27366445

CN(CC=O)c1ccn[nH]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL27638185 0.67
SCHEMBL27879795 0.66 CYP3A4 (0.38) HCAR2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL15676626 0.65 HCAR2 (0.45) TRPM8HCAR2
SCHEMBL4561593 0.64 HCAR2 (0.39) TRPM8HCAR2
SCHEMBL28364297 0.63 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5817806 0.62 SCN4A (0.35) TRPM8CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL3928290 0.61 CA12 (0.47)
SCHEMBL620677 0.61
Hydrochloric Acid SCHEMBL7173603 0.60
SCHEMBL19337454 0.60 ALDH1A1 (0.46) CYP3A4CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063282-A Pyrazole derivatives and preparation and application with weeding activity SANKYO CO (JP) 1992-08-05 CN disclosed