SCHEMBL20095906

SCHEMBL20095906

C/N=C/C1CC[C@@H](c2cccc(C(F)(F)F)c2)C[C@@H]1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
SCN9A Q15858 11/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL20095509 0.88 HTR2C (0.33) HTR2CSCN9A
SCHEMBL20095495 0.85 HTR2C (0.39) HTR2CSCN9AHTR2AHTR2BHRH3
SCHEMBL20095503 0.83 SCN9A (0.43) HTR2CSCN9A
SCHEMBL20095510 0.81 HTR2C (0.44) HTR2CSCN9ADRD2HTR2AHTR2B
SCHEMBL20096083 0.81 AKR1C3 (0.37)
SCHEMBL20095506 0.80 HTR2C (0.42) HTR2CSCN9ADRD2HTR2AHTR2B
SCHEMBL21296536 0.79 HTR2C (0.49) HTR2CSCN9ADRD2HTR2AHTR2B
SCHEMBL20063858 0.79 HTR2C (0.49) HTR2CSCN9ADRD2HTR2AHTR2B
SCHEMBL20063859 0.79 HTR2C (0.49) HTR2CSCN9ADRD2HTR2AHTR2B
SCHEMBL20063931 0.79 HTR2C (0.49) HTR2CSCN9ADRD2HTR2AHTR2B

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