SCHEMBL11567176

SCHEMBL11567176

CCOC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1C

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.83
OPRK1 P41145 3/20 0.83
OPRL1 P41146 1/20 0.83
OPRD1 P41143 4/20 0.59

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
SCHEMBL11567179 1.00 OPRM1 (0.83) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL1952939 0.91 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL26429 0.91 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL1649486 0.91 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL11565496 0.91 OPRM1 (1.00) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL30637157 0.89 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL123003 0.89 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL29361613 0.89 OPRM1 (0.96) OPRM1OPRK1OPRL1OPRD1
Lofentanil SCHEMBL18730637 0.82 OPRM1 (0.81) OPRM1OPRK1OPRL1OPRD1
SCHEMBL11565454 0.81 OPRM1 (0.82) OPRM1OPRK1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed