SCHEMBL4757748

SCHEMBL4757748

N#CC(CCC1C2CNCC12)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 9/20 0.50
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
OPRM1 P35372 3/20 0.47
DRD3 P35462 3/20 0.47
CYP2D6 P10635 1/20 0.47
CCR3 P51677 2/20 0.42
ATM Q13315 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CCR1 P32246 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
SCHEMBL4755525 0.91 KCNA3 (0.48) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4756754 0.87 KCNA3 (0.49) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4757577 0.77 KCNA3 (0.60) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL6258542 0.75 DRD2 (0.68) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4756747 0.75 CHRM3 (0.47) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL8070530 0.72 OPRM1 (0.44) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL8879197 0.71 KCNA3 (0.49) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL4757758 0.70 CCR3 (0.62) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL11600502 0.70 KCNA3 (0.61) KCNA3RAB9ANPSR1DRD2DRD4
SCHEMBL5857455 0.69 ATM (0.57) 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