SCHEMBL20095915

SCHEMBL20095915

CN[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@H]1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.48
HTR2C P28335 4/20 0.47
DRD2 P14416 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL20095838 1.00 SCN9A (0.48) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL20063390 0.90 SCN9A (0.51) SCN9AHTR2C
SCHEMBL20063410 0.88 SCN9A (0.49) SCN9AHTR2C
SCHEMBL20063409 0.88 SCN9A (0.49) SCN9AHTR2C
SCHEMBL20063450 0.88 SCN9A (0.49) SCN9AHTR2C
SCHEMBL20063372 0.88 SCN9A (0.49) SCN9AHTR2C
SCHEMBL23140857 0.82 HTR2C (0.49) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL31495941 0.82 HTR2C (0.49) SCN9AHTR2CDRD2HTR2AHTR2B
SCHEMBL20063476 0.81 SCN9A (0.51) SCN9AHTR2C
SCHEMBL23638938 0.80 SCN9A (0.49) SCN9AHTR2C

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
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed