SCHEMBL20095503

SCHEMBL20095503

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
HCRTR2 O43614 4/20 0.35
FFAR1 O14842 1/20 0.33
DPP4 P27487 1/20 0.32
HTR2C P28335 1/20 0.32
CETP P11597 1/20 0.32
MGLL Q99685 1/20 0.32
ALOX5 P09917 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
DHODH Q02127 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL20095509 0.85 HTR2C (0.33) SCN9AHCRTR2HTR2C
SCHEMBL20095906 0.83 HTR2C (0.44) SCN9AHTR2C
SCHEMBL23140809 0.81 SCN9A (0.48) SCN9AHCRTR2FFAR1HTR2CCETP
SCHEMBL20096083 0.78 AKR1C3 (0.37)
SCHEMBL23638947 0.78 SCN9A (0.48) SCN9AHCRTR2FFAR1CETPMGLL
SCHEMBL20063488 0.77 SCN9A (0.53) SCN9AHCRTR2
SCHEMBL23638940 0.76 SCN9A (0.51) SCN9AHCRTR2FFAR1TAS1R3TAS1R1
SCHEMBL20095502 0.76 DRD2 (0.42) SCN9A
SCHEMBL20095495 0.76 HTR2C (0.39) SCN9AHTR2C
SCHEMBL20096086 0.74 SCN9A (0.42) SCN9AHCRTR2FFAR1HTR2CCETP

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