SCHEMBL6938405

SCHEMBL6938405

CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)C1CCCC1.CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
OPRM1 P35372 5/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SLC22A1 O15245 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HDAC4 P56524 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRL1 P41146 1/20 0.31

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
SCHEMBL4664073 0.92 LMNA (0.41) LMNAGAAOPRM1SLC6A2SLC6A4
SCHEMBL4663713 0.88 HDAC4 (0.38) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4663732 0.87 HDAC4 (0.38) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4664126 0.86 OPRM1 (0.42) LMNAGAAOPRM1SLC6A2SLC6A4
SCHEMBL4665325 0.85 LMNA (0.51) LMNAGAAOPRM1SLC6A4OPRD1
SCHEMBL6942937 0.84 OPRM1 (0.43) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4664221 0.82 OPRM1 (0.40) LMNAGAAOPRM1SLC6A2SLC6A4
SCHEMBL4663414 0.81 OPRM1 (0.39) LMNAGAAOPRM1OPRD1OPRK1
SCHEMBL4664190 0.81 OPRM1 (0.48) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL4665456 0.81 OPRM1 (0.48) OPRM1SLC6A2SLC6A4OPRD1OPRK1

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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed