SCHEMBL4664225

SCHEMBL4664225

CN(C)C1(C)CC(Cc2ccc(F)cc2)CCC1(O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
OPRM1 P35372 11/20 0.44
OPRK1 P41145 7/20 0.44
HTR1A P08908 6/20 0.44
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
HTR2A P28223 6/20 0.44
HTR2C P28335 6/20 0.44
HTR7 P34969 6/20 0.44
HTR1D P28221 5/20 0.44
HRH2 P25021 5/20 0.44
HRH1 P35367 4/20 0.44
OPRD1 P41143 7/20 0.42
DRD3 P35462 5/20 0.42
HTR2B P41595 5/20 0.42
DRD1 P21728 4/20 0.42
DRD5 P21918 4/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
HTR6 P50406 4/20 0.42

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
SCHEMBL4665572 0.84 OPRL1 (0.47) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4664156 0.84 GRIN2B (0.40) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4664220 0.78 OPRL1 (0.48) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4665533 0.78 TRPA1 (0.38) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL4665942 0.74 SMN1; SMN2 (0.38) OPRM1OPRK1HTR2AHTR2COPRD1
SCHEMBL4663500 0.71 OPRM1 (0.42) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4665356 0.67 OPRL1 (0.46) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL7133737 0.66 SLC6A4 (0.42) OPRL1OPRM1OPRK1OPRD1SLC6A2
SCHEMBL4665489 0.66 TRPA1 (0.38) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL4665550 0.65 OPRM1 (0.41) OPRM1OPRK1OPRD1SLC6A2SLC6A4

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-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed