SCHEMBL11090455

SCHEMBL11090455

CC(C)CN(C)C1(c2cccc(O)c2)CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRK1 P41145 3/20 0.38
OPRD1 P41143 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
OPRL1 P41146 2/20 0.36

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
Ethylene SCHEMBL11094555 0.97 OPRM1 (0.36) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11557913 0.85 OPRM1 (0.43) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11090344 0.84 OPRM1 (0.45) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11074012 0.83 OPRM1 (0.43) OPRM1OPRK1OPRD1SLC6A2SLC6A4
Ethylene SCHEMBL11099465 0.83 OPRM1 (0.42) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11094528 0.83 OPRM1 (0.42) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11622459 0.81 OPRM1 (0.48) OPRM1OPRK1OPRD1SLC6A2SLC6A4
Ethylene SCHEMBL11094116 0.81 OPRM1 (0.43) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL11092425 0.81 CYP3A4 (0.38) OPRM1MEN1KMT2AOPRL1
SCHEMBL11068638 0.81 OPRM1 (0.52) OPRM1OPRD1SLC6A4OPRL1

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