SCHEMBL8640728

SCHEMBL8640728

CC(C)c1ccccc1C(CN(C)C)OP(O)(=S)S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 2/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL8639234 0.84 ALDH1A1 (0.38) ALDH1A1TDP1LMNASLC6A2HTR2B
SCHEMBL8642271 0.82 GABRA1 (0.34) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL8639222 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL8645901 0.81 HTR2A (0.46) ALDH1A1CYP2D6CYP2C19HSD17B10HTR2A
SCHEMBL8639418 0.81 HTR2C (0.31) GBA1HTR2C
SCHEMBL8153294 0.80 GABRA1 (0.33) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL8640118 0.78 SLC22A1 (0.38) ALDH1A1HTR2AHRH1TDP1CA1
SCHEMBL8645772 0.78 TRPA1 (0.36) LMNAPTGS1
SCHEMBL8642476 0.75 ALDH1A1 (0.34) ALDH1A1LMNASLC6A2
SCHEMBL8639375 0.72 ALDH1A1 (0.40) ALDH1A1TDP1LMNASLC6A2HTR2B

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
US-5804569-A ANTIINFLAMMATORY, ANTIARRHYMIC AND LOCAL ANESTHETIC AGENT CLARION PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed