SCHEMBL2328906

SCHEMBL2328906

CN(C)C(c1cccc(F)c1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
OGFRL1 Q5TC84 3/20 0.45
LMNA P02545 6/20 0.43
TP53 P04637 2/20 0.43
OPRL1 P41146 3/20 0.39
TRPV1 Q8NER1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL2326027 0.93 LMNA (0.48) OPRM1OGFRL1LMNATP53OPRL1
SCHEMBL698242 0.90 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL700114 0.89 OPRM1 (0.44) OPRM1OGFRL1LMNATP53OPRL1
SCHEMBL699917 0.89 LMNA (0.45) OPRM1OGFRL1LMNATP53OPRL1
SCHEMBL698513 0.89 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL701237 0.89 OPRM1 (0.46) OPRM1OGFRL1LMNATP53OPRL1
SCHEMBL699422 0.89 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL700109 0.88 OPRM1 (0.45) OPRM1OGFRL1LMNAOPRL1TRPV1
SCHEMBL699379 0.88 LMNA (0.48) OPRM1OGFRL1LMNATP53OPRL1
SCHEMBL700318 0.88 OPRM1 (0.45) OPRM1OGFRL1OPRL1TRPV1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO disclosed