SCHEMBL4667277

SCHEMBL4667277

CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)c1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.36
TRPA1 O75762 4/20 0.35
OPRD1 P41143 3/20 0.35
OPRM1 P35372 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL4665424 0.86 CCR5 (0.38) OPRK1OPRD1OPRM1CYP2C9CYP2C19
SCHEMBL4663500 0.83 OPRM1 (0.42) OPRK1OPRD1OPRM1LMNAGAA
SCHEMBL4664230 0.83 SCN9A (0.39) OPRK1OPRD1OPRM1CYP2C9CYP2C19
SCHEMBL4663488 0.83 OPRK1 (0.38) OPRK1OPRD1OPRM1SMN1; SMN2TDP1
SCHEMBL4664046 0.82 SMN1; SMN2 (0.48) OPRK1OPRD1OPRM1SMN1; SMN2TDP1
SCHEMBL4667278 0.82 LMNA (0.53) OPRK1TRPA1OPRD1OPRM1LMNA
SCHEMBL4665379 0.81 OPRK1 (0.42) OPRK1OPRD1OPRM1LMNAGAA
SCHEMBL4664196 0.81 OPRK1 (0.47) OPRK1OPRD1OPRM1LMNAGAA
SCHEMBL4663483 0.79 DRD2 (0.41) OPRK1TRPA1OPRD1OPRM1HTR2B
SCHEMBL4665354 0.79 DRD2 (0.41) OPRK1TRPA1OPRD1OPRM1HTR2B

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