SCHEMBL20095495

SCHEMBL20095495

C/N=C/C1CC[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.39
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SCN9A Q15858 3/20 0.35
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL20095906 0.85 HTR2C (0.44) HTR2CHTR2AHTR2BHRH3SCN9A
SCHEMBL20096083 0.82 AKR1C3 (0.37)
SCHEMBL20095509 0.79 HTR2C (0.33) HTR2CSCN9A
SCHEMBL20072886 0.77 HTR2C (0.44) HTR2CHTR2AHTR2BHRH3SCN9A
SCHEMBL20095503 0.76 SCN9A (0.43) HTR2CSCN9A
SCHEMBL20073072 0.72 SCN9A (0.43) HTR2CHTR2AHTR2BHRH3SCN9A
SCHEMBL20063481 0.72 SCN9A (0.43) HTR2CHTR2AHTR2BHRH3SCN9A
SCHEMBL20095962 0.70 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3PROKR1
SCHEMBL20095682 0.70 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3PROKR1
SCHEMBL20095685 0.70 HTR2C (0.49) HTR2CHTR2AHTR2BHRH3PROKR1

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