SCHEMBL2308697

SCHEMBL2308697

CC(=O)N(c1ccccc1)C1CCC(C(c2ccccc2)N(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRM1 P35372 3/20 0.41
OPRL1 P41146 1/20 0.41
LMNA P02545 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PAX8 Q06710 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37

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 SCHEMBL1327469 0.99 OPRD1 (0.41) OPRD1CHRM2CHRM3OPRM1OPRL1
SCHEMBL2310772 0.89 TRPM8 (0.46) OPRD1CHRM2CHRM3OPRM1LMNA
Hydrochloric Acid SCHEMBL1326236 0.88 TRPM8 (0.45) OPRD1CHRM2CHRM3OPRM1LMNA
SCHEMBL1326682 0.84 OPRM1 (0.47) OPRD1CHRM2CHRM3OPRM1OPRL1
SCHEMBL2307341 0.84 OPRM1 (0.42) OPRD1CHRM2CHRM3OPRM1OPRL1
Hydrochloric Acid SCHEMBL1327939 0.83 OPRM1 (0.42) OPRD1CHRM3OPRM1OPRL1ALDH1A1
SCHEMBL8807231 0.82 CHRM3 (0.54) OPRD1CHRM2CHRM3OPRM1LMNA
SCHEMBL13504067 0.81 OPRD1 (0.46) OPRD1CHRM2CHRM3OPRM1OPRL1
SCHEMBL2313411 0.78 DPP4 (0.53) CHRM2CHRM3OPRM1LMNA
SCHEMBL1327227 0.78 OPRM1 (0.41) OPRD1OPRM1ALDH1A1KDM4EKMT2A

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