SCHEMBL8070530

SCHEMBL8070530

CC1=NC(CCC(C#N)(c2ccccc2)c2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNA3 P22001 7/20 0.43
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CCR3 P51677 2/20 0.37
ATM Q13315 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL8073918 0.80 CCR1 (0.42) OPRM1CYP2D6KCNA3CHRM2CHRM1
SCHEMBL8070848 0.74 CHRM3 (0.43) CYP2D6CHRM2CHRM1CHRM3
SCHEMBL4757748 0.72 KCNA3 (0.50) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL6258542 0.69 DRD2 (0.68) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL4755525 0.67 KCNA3 (0.48) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL4014770 0.66 DRD2 (0.65) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL2521449 0.66 DRD2 (0.59) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL4756754 0.65 KCNA3 (0.49) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL8879197 0.65 KCNA3 (0.49) OPRM1DRD2DRD4DRD3CYP2D6
SCHEMBL5857455 0.64 ATM (0.57) OPRM1DRD2DRD4DRD3CYP2D6

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-1020449-A1 IMIDAZOLINE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-07-19 EP claimed
EP-1020449-A1 IMIDAZOLINE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-07-19 EP disclosed