SCHEMBL854158

SCHEMBL854158

O=C(O)c1nc2ccccc2n([C@H]2C[C@H]3CC[C@@H](C2)N3[C@@H]2C[C@@H]3CCC[C@@H](C3)C2)c1=O

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 16/20 1.00
OPRK1 P41145 16/20 1.00
OPRL1 P41146 5/20 1.00
OPRD1 P41143 13/20 0.96

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
SCHEMBL880392 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL852112 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
SCHEMBL852111 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL31502988 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL852621 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL852622 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL12345477 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL21366378 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL22622383 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1
Sunobinop SCHEMBL17807892 0.98 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRL1OPRD1

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 10 patents. 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
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
EP-2324013-B3 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2014-10-22 EP disclosed
EP-2537844-A1 Substituted-quinoxaline-type bridged-piperidine compounds and the uses thereof Purdue Pharma L.P. (US) 2012-12-26 EP disclosed
EP-2324013-B1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2012-09-19 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed