SCHEMBL4738668

SCHEMBL4738668

CCN(CC)c1cccc(CN(C(=O)c2ccsc2)c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.39
CFTR P13569 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDK1 Q15118 9/20 0.35
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPK14 Q16539 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL8184199 0.82 MAPK14 (0.44) CNR2CNR1MAPTCYP3A4PDK1
SCHEMBL4733577 0.81 TLR7 (0.40) CNR2CNR1CFTRMAPTCYP3A4
SCHEMBL8190064 0.79 CYP3A4 (0.42) CNR2CNR1MAPTCYP3A4PDK1
SCHEMBL3818747 0.78 CNR2 (0.47) CNR2CNR1MAPTCYP3A4
SCHEMBL4735258 0.78 ALDH1A1 (0.52) CNR2MAPTCYP3A4
SCHEMBL4739106 0.78 NPC1 (0.41) CNR2CNR1MAPTCYP3A4PDK1
SCHEMBL4736786 0.77 OPRM1 (0.41) CNR2CNR1CYP3A4PDK1GPBAR1
SCHEMBL3824123 0.77 CNR1 (0.41) CNR2CNR1MAPTCYP3A4MAPK14
SCHEMBL4734930 0.74 ALDH1A1 (0.45) CNR2CNR1MAPTCYP3A4CASP3
SCHEMBL3818751 0.73 CNR1 (0.46) CNR2CNR1MAPT

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed