SCHEMBL11092002

SCHEMBL11092002

CN(C1CC1)C1(c2cccc(O)c2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
OPRD1 P41143 8/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A2 P23975 6/20 0.44
OPRK1 P41145 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL11074012 0.86 OPRM1 (0.43) OPRM1OPRD1SLC6A4SLC6A2OPRK1
Ethylene SCHEMBL10832290 0.83 OPRD1 (0.41) OPRM1OPRD1SLC6A4SLC6A2OPRK1
Cyclopropane SCHEMBL11098599 0.83 OPRM1 (0.42) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11090344 0.81 OPRM1 (0.45) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11093289 0.80 ALDH1A1 (0.41) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11557913 0.80 OPRM1 (0.43) OPRM1OPRD1SLC6A4SLC6A2OPRK1
Ethylene SCHEMBL11094116 0.79 OPRM1 (0.43) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11622459 0.79 OPRM1 (0.48) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11088337 0.78 SIGMAR1 (0.41) OPRM1OPRD1SLC6A4SLC6A2OPRK1
SCHEMBL11557341 0.78 OPRM1 (0.47) OPRM1OPRD1SLC6A4SLC6A2OPRK1

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