SCHEMBL20095932

SCHEMBL20095932

CCCc1cccc(C2CCCC(N(C)C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
DRD3 P35462 8/20 0.55
DRD1 P21728 5/20 0.55
DRD4 P21917 5/20 0.55
DRD5 P21918 5/20 0.55
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
SPHK1 Q9NYA1 1/20 0.38
SCN9A Q15858 1/20 0.36
NFKB1 P19838 1/20 0.36
PRCP P42785 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL20096107 1.00 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20095930 1.00 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21312203 0.84 DRD2 (0.39) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4379176 0.82 DRD3 (0.67) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20096106 0.82 MGLL (0.42) SIGMAR1
SCHEMBL20095848 0.82 MGLL (0.42) SIGMAR1
SCHEMBL20095849 0.82 MGLL (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL7994687 0.81 DRD3 (0.65) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21311808 0.78 HTR2C (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21311628 0.78 HTR2C (0.50) DRD2DRD3DRD1DRD4DRD5

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