SCHEMBL5160213

SCHEMBL5160213

CN(C)C1(c2cccc(F)c2)CC[C]CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.50
OPRL1 P41146 12/20 0.50
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 1/20 0.48
KDM1A O60341 2/20 0.45
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44

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
SCHEMBL4344782 0.83 SLC6A4 (0.62) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL27826344 0.80 OPRL1 (0.50) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL517439 0.79 OPRL1 (0.50) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL22112097 0.79 OPRM1 (0.49) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL4344633 0.79 OPRL1 (0.49) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL316598 0.78 OPRL1 (0.66) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5572136 0.76 OPRL1 (0.64) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL526471 0.76 OPRM1 (0.52) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3411008 0.75 OPRM1 (0.54) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL2202407 0.75 OPRM1 (0.50) OPRM1OPRL1SLC6A4SLC6A3SLC6A2

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