SCHEMBL2305554

SCHEMBL2305554

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)Oc2csc3ccccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
VCP P55072 1/20 0.36
MTNR1A P48039 1/20 0.35
NAPEPLD Q6IQ20 6/20 0.35
OPRM1 P35372 2/20 0.34
HTR4 Q13639 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL2310121 0.84 MAPT (0.41) MAPTVCPMTNR1AOPRM1OPRK1
SCHEMBL2305587 0.80 MAPT (0.39) MAPTVCPMTNR1AOPRM1OPRK1
SCHEMBL2306720 0.79 MAPT (0.38) MAPTOPRM1
SCHEMBL2304618 0.79 MAPT (0.38) MAPTVCPMTNR1AOPRM1OPRD1
SCHEMBL2305350 0.77 OPRM1 (0.37) MAPTOPRM1
SCHEMBL2307521 0.76 ACHE (0.38)
SCHEMBL493155 0.76 SMN1; SMN2 (0.50) MAPTNAPEPLD
SCHEMBL493639 0.73 MAPT (0.44) MAPTNAPEPLD
SCHEMBL2308192 0.71 NPC1 (0.35) MAPTMTNR1AOPRM1OPRK1
SCHEMBL1327183 0.69 CHRNB2 (0.39) OPRM1OPRD1OPRK1

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