SCHEMBL4382016

SCHEMBL4382016

CCN1CCC(O)(c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
CCR1 P32246 3/20 0.53
OPRL1 P41146 5/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CCR3 P51677 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CHRNA1 P02708 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL11560742 0.83 OPRD1 (0.52) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL13788629 0.82 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL10287975 0.81 CCR3 (0.65) DRD2DRD3CCR1OPRL1OPRM1
SCHEMBL8213555 0.80 OPRL1 (0.67) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5756820 0.80 SLC6A4 (0.39) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL3852309 0.80 DRD2 (0.54) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL17886590 0.80 OPRL1 (0.50) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL1155345 0.80 OPRM1 (0.50) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL21078101 0.80 OPRL1 (0.52) DRD2DRD4DRD3CCR1OPRL1
SCHEMBL8046465 0.79 ALDH1A1 (0.67) DRD2DRD4DRD3OPRL1OPRM1

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
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed