SCHEMBL2308501

SCHEMBL2308501

CN(C)C(c1ccccc1)C1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
OPRM1 P35372 5/20 0.49
OPRK1 P41145 2/20 0.49
OPRD1 P41143 1/20 0.49
GRIN2B Q13224 6/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL1328299 0.99 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL1327110 0.91 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL2307072 0.91 OPRL1 (0.41) OPRL1OPRM1OPRK1OPRD1GRIN2B
Hydrochloric Acid SCHEMBL1326670 0.90 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL1327535 0.88 OPRL1 (0.41) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL1328347 0.79 OPRM1 (0.47) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL1327622 0.79 GRIN2B (0.39) GRIN2BGRIN2DGRIN3BADRA1DADRA1A
SCHEMBL1326520 0.76 GRIN2B (0.46) OPRM1GRIN2BSLC6A2SLC6A4
SCHEMBL1327481 0.76 OPRM1 (0.44) OPRL1OPRM1OPRK1OPRD1GRIN2B
SCHEMBL1327810 0.75 GRIN2B (0.43) OPRM1OPRK1OPRD1GRIN2BSLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
JP-2009520720-A 2009-05-28 JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO disclosed