SCHEMBL4733577

SCHEMBL4733577

CCN(CC)c1cccc(CN(C(=O)c2csc(C)n2)c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
CFTR P13569 1/20 0.36
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL4738668 0.81 CNR2 (0.40) CNR2CNR1CFTRMAPTCYP3A4
SCHEMBL8190064 0.81 CYP3A4 (0.42) CNR2CNR1MAPTCYP3A4GPBAR1
SCHEMBL4739106 0.79 NPC1 (0.41) CNR2CNR1MAPTCYP3A4SMN1; SMN2
SCHEMBL3818747 0.78 CNR2 (0.47) CNR2CNR1MAPTCYP3A4SMN1; SMN2
SCHEMBL4735258 0.78 ALDH1A1 (0.52) KDM4ECNR2MAPTCYP3A4SMN1; SMN2
SCHEMBL8184199 0.77 MAPK14 (0.44) CNR2CNR1MAPTCYP3A4TP53
SCHEMBL4736786 0.77 OPRM1 (0.41) CNR2CNR1CYP3A4GPBAR1
SCHEMBL3824123 0.76 CNR1 (0.41) KDM4ECNR2CNR1MAPTCYP3A4
SCHEMBL4733672 0.76 ALDH1A1 (0.44) CNR2CNR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4734930 0.73 ALDH1A1 (0.45) CNR2CNR1MAPTCYP3A4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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