SCHEMBL8190064

SCHEMBL8190064

CCN(CC)c1cccc(CN(C(=O)c2ccccc2C)c2ccc(Cl)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 1/20 0.41
PDK1 Q15118 3/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37

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 0.81 MAPK14 (0.44) CYP3A4CNR2CNR1MAPTTP53
SCHEMBL4733577 0.81 TLR7 (0.40) CYP3A4CNR2CNR1MAPTTP53
SCHEMBL3818747 0.80 CNR2 (0.47) CYP3A4CNR2CNR1MAPTTP53
SCHEMBL4735258 0.80 ALDH1A1 (0.52) CYP3A4CNR2MAPTTP53LMNA
SCHEMBL4739106 0.79 NPC1 (0.41) CYP3A4CNR2CNR1MAPTPDK1
SCHEMBL4738668 0.79 CNR2 (0.40) CYP3A4CNR2CNR1MAPTPDK1
SCHEMBL4736786 0.79 OPRM1 (0.41) CYP3A4CNR2CNR1PDK1GPBAR1
SCHEMBL3824123 0.78 CNR1 (0.41) CYP3A4CNR2CNR1MAPTLMNA
SCHEMBL4736765 0.77 CYP19A1 (0.43) CNR2CNR1MAPTTP53
SCHEMBL4733672 0.76 ALDH1A1 (0.44) CNR2CNR1LMNA

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-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed