SCHEMBL4736765

SCHEMBL4736765

CCN(CC)c1cccc(CN(C(=O)c2nnn(Cc3ccccc3)c2C)c2ccc(Cl)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
CNR2 P34972 3/20 0.37
KLKB1 P03952 1/20 0.37
CNR1 P21554 2/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4733672 0.81 ALDH1A1 (0.44) CYP19A1CNR2KLKB1CNR1HPGD
SCHEMBL4738910 0.78 CACNA1H (0.42) CYP19A1CNR2KLKB1CNR1MAPT
SCHEMBL8190064 0.77 CYP3A4 (0.42) CNR2CNR1MAPTTP53
SCHEMBL4735258 0.77 ALDH1A1 (0.52) CNR2MAPTHTTTP53SMN1; SMN2
SCHEMBL8184199 0.74 MAPK14 (0.44) CNR2CNR1MAPTTP53
SCHEMBL4739106 0.74 NPC1 (0.41) CNR2CNR1MAPTSMN1; SMN2
SCHEMBL4733577 0.73 TLR7 (0.40) CNR2CNR1MAPTTP53SMN1; SMN2
SCHEMBL3818747 0.73 CNR2 (0.47) CNR2CNR1MAPTHTTTP53
SCHEMBL4734930 0.72 ALDH1A1 (0.45) CNR2CNR1MAPTHPGDCYP1A2
SCHEMBL4738668 0.72 CNR2 (0.40) 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