SCHEMBL11097552

SCHEMBL11097552

CC1CC(c2cccc(O)c2)(N(C)C)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.40
SIGMAR1 Q99720 7/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2440151 0.83 OPRL1 (0.52) OPRK1OPRM1
SCHEMBL11074012 0.80 OPRM1 (0.43) OPRK1OPRM1OPRD1SIGMAR1SLC6A2
Ethylene SCHEMBL10832290 0.77 OPRD1 (0.41) OPRK1OPRM1OPRD1SIGMAR1SLC6A2
Cyclopropane SCHEMBL11098599 0.77 OPRM1 (0.42) OPRK1OPRM1OPRD1SIGMAR1SLC6A2
SCHEMBL11069932 0.76 OPRL1 (0.41) OPRK1OPRM1SLC6A2SLC6A4MEN1
SCHEMBL11070605 0.74 MAOA (0.38) OPRK1OPRM1SLC6A2SLC6A4KMT2A
SCHEMBL11090331 0.74 MAOA (0.38) OPRK1OPRM1SLC6A2SLC6A4KMT2A
SCHEMBL11096526 0.74 MAOA (0.38) OPRK1OPRM1SLC6A2SLC6A4KMT2A
SCHEMBL11557913 0.74 OPRM1 (0.43) OPRK1OPRM1OPRD1SIGMAR1SLC6A2
SCHEMBL11092002 0.73 OPRM1 (0.44) OPRK1OPRM1OPRD1SIGMAR1SLC6A2

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
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed