SCHEMBL11096384

SCHEMBL11096384

CCCCN(CCCC)C1(c2cccc(O)c2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
OPRM1 P35372 4/20 0.42
SLC6A4 P31645 1/20 0.39
OPRD1 P41143 2/20 0.39
DRD2 P14416 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 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
SCHEMBL11098411 0.96 OPRM1 (0.42) DRD3OPRM1SLC6A4OPRD1DRD2
SCHEMBL11093463 0.92 DRD3 (0.39) DRD3OPRM1OPRD1DRD2
SCHEMBL11068638 0.90 OPRM1 (0.52) DRD3OPRM1SLC6A4OPRD1OPRL1
SCHEMBL11088337 0.88 SIGMAR1 (0.41) OPRM1SLC6A4OPRD1OPRK1
Ethylene SCHEMBL10833583 0.88 OPRM1 (0.50) DRD3OPRM1SLC6A4OPRD1OPRL1
SCHEMBL11093314 0.86 OPRM1 (0.48) DRD3OPRM1SLC6A4OPRD1DRD2
SCHEMBL11094528 0.84 OPRM1 (0.42) DRD3OPRM1SLC6A4OPRD1OPRK1
Ethylene SCHEMBL11092451 0.84 OPRM1 (0.46) DRD3OPRM1SLC6A4OPRD1DRD2
SCHEMBL11096511 0.83 OPRD1 (0.41) OPRM1OPRD1OPRK1
Ethylene SCHEMBL11092467 0.82 OPRM1 (0.40) DRD3OPRM1SLC6A4OPRD1OPRK1

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