SCHEMBL3824522

SCHEMBL3824522

CCN(c1ccc(CN(C(=O)[C@@H](N)c2ccccc2)c2ccc(OC)cc2)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.47
RNF4 P78317 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CCR5 P51681 1/20 0.40
CHRM5 P08912 1/20 0.39
OPRM1 P35372 1/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL3819221 0.87 CHRM2 (0.44) CHRM1CHRM3CHRM2RNF4MEN1
SCHEMBL3819010 0.81 RNF4 (0.47) CHRM1CHRM3CHRM2RNF4MEN1
SCHEMBL3819801 0.79 ATM (0.40) CHRM1CHRM3CHRM2TDP1MEN1
SCHEMBL3819226 0.74 CNR1 (0.40) CHRM1CHRM3CHRM2MEN1KMT2A
SCHEMBL3819014 0.74 CNR2 (0.46) DRD2DRD3ALDH1A1LMNAOPRM1
SCHEMBL4734150 0.74 KMT2A (0.48) CHRM1CHRM3CHRM2MEN1KMT2A
SCHEMBL4737523 0.73 ALDH1A1 (0.45) CHRM1CHRM3CHRM2RNF4MEN1
SCHEMBL3053871 0.73 CNR2 (0.41) CHRM1CHRM3CHRM2RNF4DRD2
SCHEMBL27594337 0.73 CNR1 (0.41) TDP1TRPM8DRD2DRD3ALDH1A1
SCHEMBL4737670 0.72 SMN1; SMN2 (0.46) CHRM1CHRM3CHRM2RNF4MEN1

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
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP claimed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed