SCHEMBL4757577

SCHEMBL4757577

N#CC(CCC1C2CN(Cc3ccccc3)CC12)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 8/20 0.60
CCR3 P51677 2/20 0.57
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
OPRM1 P35372 3/20 0.44
DRD3 P35462 3/20 0.44
ATM Q13315 1/20 0.42
CYP2D6 P10635 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
SCHEMBL4757758 0.92 CCR3 (0.62) KCNA3CCR3RAB9ANPSR1DRD2
SCHEMBL4756508 0.88 KCNA3 (0.57) KCNA3CCR3RAB9ANPSR1ATM
SCHEMBL4757748 0.77 KCNA3 (0.50) KCNA3CCR3RAB9ANPSR1DRD2
SCHEMBL4757519 0.77 KCNA3 (0.54) KCNA3CCR3DRD2DRD3ATM
SCHEMBL19024128 0.74 FUCA1 (0.49) OPRM1CYP2D6
SCHEMBL20875294 0.74 FUCA1 (0.49) OPRM1CYP2D6
SCHEMBL19024130 0.74 FUCA1 (0.49) OPRM1CYP2D6
SCHEMBL19024129 0.74 FUCA1 (0.49) OPRM1CYP2D6
Hydrochloric Acid SCHEMBL9244847 0.74 KCNA3 (0.97) KCNA3CCR3RAB9ANPSR1DRD2
SCHEMBL25024428 0.72 FUCA1 (0.54)

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