SCHEMBL5159111

SCHEMBL5159111

CN(C)C1(c2ccccn2)CC[C](O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.40
OPRL1 P41146 5/20 0.40
SLC6A2 P23975 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRK1 P41145 3/20 0.36
OPRD1 P41143 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A4 P31645 1/20 0.35
HSD11B1 P28845 3/20 0.33
SLC6A9 P48067 1/20 0.33
NR3C1 P04150 1/20 0.33
KCNH2 Q12809 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
SCHEMBL734817 0.83 OPRM1 (0.40) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL20221246 0.77 OPRM1 (0.40) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL17443892 0.74 OPRM1 (0.39) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL2378257 0.72 OPRM1 (0.43) OPRM1OPRL1SLC6A2OPRK1OPRD1
SCHEMBL20220987 0.71 CRBN (0.42) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL2379617 0.71 FFAR4 (0.41) OPRM1OPRL1SLC6A2SLC6A4HSD11B1
SCHEMBL17443982 0.69 OPRM1 (0.67) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL17443842 0.69 OPRM1 (0.67) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL17443840 0.69 OPRM1 (0.67) OPRM1OPRL1SLC6A2GRIN1GRIN2A
SCHEMBL19127293 0.68 OPRL1 (0.34) OPRM1OPRL1SLC6A2GRIN1GRIN2A

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-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO disclosed