SCHEMBL21548005

SCHEMBL21548005

CCOC(=O)c1nc2ccccc2n([C@H]2CC3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 20/20 0.69
▸ OPRK1 P41145 12/20 0.69
▸ OPRM1 P35372 12/20 0.69
▸ OPRD1 P41143 9/20 0.67
▸ OPRL1 P41146 2/20 0.48

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
SCHEMBL880517 1.00 OGFRL1 (0.69) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853681 1.00 OGFRL1 (0.69) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852176 1.00 OGFRL1 (0.69) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL17030968 0.90 OGFRL1 (0.73) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL17030965 0.90 OGFRL1 (0.73) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL15854062 0.90 OGFRL1 (0.73) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853513 0.83 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852366 0.83 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL852365 0.83 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1
SCHEMBL853512 0.83 OGFRL1 (0.81) OGFRL1OPRK1OPRM1OPRD1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 — — EP disclosed
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