SCHEMBL4756754

SCHEMBL4756754

N#CC(CC1C2CNCC21)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 8/20 0.49
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
OPRM1 P35372 2/20 0.46
DRD3 P35462 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM3 P20309 7/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
ATM Q13315 1/20 0.44
CCR3 P51677 1/20 0.40

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
SCHEMBL4757748 0.87 KCNA3 (0.50) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4755525 0.84 KCNA3 (0.48) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4756747 0.84 CHRM3 (0.47) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4756508 0.74 KCNA3 (0.57) KCNA3RAB9ANPSR1CHRM3CHRM2
SCHEMBL6258542 0.73 DRD2 (0.68) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL8880121 0.73 CHRM3 (0.56) KCNA3DRD2DRD4OPRM1DRD3
SCHEMBL10461571 0.72 CHRM3 (0.51) KCNA3CHRM3CHRM2CHRM1
SCHEMBL11712752 0.70 ATM (0.55) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4758054 0.70 CHRM3 (0.49) DRD2OPRM1DRD3CYP2D6CHRM3
SCHEMBL11600502 0.69 KCNA3 (0.61) KCNA3RAB9ANPSR1DRD2DRD4

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