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SCHEMBL21547954

SCHEMBL21547954

O=C(O)CN1CCN(c2nc3ccccc3n([C@H]3CC4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 20/20 1.00
▸ OPRM1 P35372 18/20 1.00
▸ OPRK1 P41145 18/20 1.00
▸ OPRD1 P41143 13/20 1.00
▸ OPRL1 P41146 3/20 0.67

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
SCHEMBL853438 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853439 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852438 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852439 0.89 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852420 0.88 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852421 0.88 OGFRL1 (0.79) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21547953 0.88 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853065 0.88 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853064 0.88 OGFRL1 (0.78) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21548057 0.87 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1

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
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 — — EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 — — EP disclosed