SCHEMBL28853192

SCHEMBL28853192

CN(C)c1cccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 8/20 0.45
SCN9A Q15858 5/20 0.43
KIF11 P52732 5/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL12632064 0.85 KDR (0.43) KIF11
SCHEMBL20684697 0.78 MEN1 (0.60)
SCHEMBL2615265 0.77 CCR1 (0.54) TRPV3SCN9AKIF11
SCHEMBL28881729 0.77 TRPV3 (0.48) TRPV3SCN9AKIF11
SCHEMBL28345610 0.77 KIF11 (0.65) TRPV3SCN9AKIF11
SCHEMBL30755399 0.75 TRPV3 (0.47) TRPV3SCN9AKIF11
SCHEMBL22337449 0.75 NOTUM (0.47) TRPV3SCN9AKIF11
SCHEMBL8612884 0.75 SCN9A (0.47) TRPV3SCN9AKIF11
SCHEMBL16538337 0.74 SCN9A (0.46) TRPV3SCN9AKIF11
SCHEMBL1800349 0.74 ASIC3 (0.60) TRPV3SCN9AKIF11

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-105143188-B Novel sulfonamide TRPA1 receptor antagonists 阿里奥制药有限公司 2017-11-28 CN disclosed