SCHEMBL20096086

SCHEMBL20096086

CN(C)[C@@H]1CCC[C@H](c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HCRTR2 O43614 3/20 0.38
GPR142 Q7Z601 1/20 0.38
CETP P11597 1/20 0.37
MGLL Q99685 1/20 0.37
HTR2C P28335 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL20096261 1.00 SCN9A (0.42) SCN9ADRD2DRD3TAS1R3TAS1R1
SCHEMBL21311996 0.84 SCN9A (0.38) SCN9ADRD2DRD3DRD1HCRTR2
SCHEMBL25046792 0.81 HTR2C (0.45) DRD2DRD3TAS1R3TAS1R1TAS1R2
SCHEMBL21311697 0.81 HTR2C (0.38) SCN9ADRD2DRD3MGLLHTR2C
SCHEMBL21311899 0.81 PIM1 (0.38) DRD2DRD3TAS1R3TAS1R1TAS1R2
SCHEMBL20096265 0.81 HTR2C (0.54) SCN9ADRD2HTR2C
SCHEMBL20095961 0.81 HTR2C (0.54) SCN9ADRD2HTR2C
SCHEMBL20095708 0.81 HTR2C (0.54) SCN9ADRD2HTR2C
SCHEMBL20095707 0.81 HTR2C (0.54) SCN9ADRD2HTR2C
SCHEMBL20095686 0.81 HTR2C (0.54) SCN9ADRD2HTR2C

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