SCHEMBL8747865

SCHEMBL8747865

Cc1ccc(C23CCC(O)(CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PNMT P11086 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
SCHEMBL21935248 0.77 ACHE (0.59) MAOBMAOASLC6A3SLC6A2ACHE
SCHEMBL8747847 0.77 MAOB (0.38) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL8178693 0.77 OPRM1 (0.44) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL2640740 0.73 OPRM1 (0.63) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL21264045 0.73 OPRM1 (0.42) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL10021108 0.70 OPRM1 (0.55) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL11962271 0.70 OPRM1 (0.55) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL21935244 0.69 ALDH1A1 (0.46) MAOBMAOAKMT2AMEN1
SCHEMBL22113157 0.68 MAOB (0.42) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL893223 0.68 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed