SCHEMBL4756747

SCHEMBL4756747

N#CC(CC1C2CCC1CNC2)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
KCNA3 P22001 6/20 0.46
CYP2D6 P10635 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL4756754 0.84 KCNA3 (0.49) CHRM3CHRM2CHRM1KCNA3CYP2D6
SCHEMBL4756790 0.81 CHRM3 (0.39) CHRM3CHRM2CHRM1KCNA3CYP2D6
SCHEMBL4755540 0.79 CCR1 (0.41) CHRM3CHRM2CHRM1KCNA3CYP2D6
SCHEMBL4757519 0.76 KCNA3 (0.54) CHRM3CHRM2CHRM1KCNA3DRD2
SCHEMBL4757748 0.75 KCNA3 (0.50) CHRM3CHRM2CHRM1KCNA3CYP2D6
SCHEMBL8880121 0.74 CHRM3 (0.56) CHRM3CHRM2CHRM1KCNA3CYP2D6
SCHEMBL4755525 0.73 KCNA3 (0.48) KCNA3CYP2D6DRD2DRD4OPRM1
SCHEMBL10461571 0.73 CHRM3 (0.51) CHRM3CHRM2CHRM1KCNA3
SCHEMBL4756753 0.72 CHRM3 (0.50) CHRM3CHRM2CHRM1CYP2D6DRD2
SCHEMBL6258542 0.71 DRD2 (0.68) CHRM3CHRM2CHRM1KCNA3CYP2D6

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-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 WO disclosed