SCHEMBL852458

SCHEMBL852458

O=C(NCC(O)CO)c1nc2ccccc2n(C2CC3CCC(C2)N3C2CCCCCCC2)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 19/20 1.00
OPRM1 P35372 19/20 1.00
OPRK1 P41145 19/20 1.00
OPRD1 P41143 17/20 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
SCHEMBL852457 1.00 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880593 0.86 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852171 0.85 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL852170 0.85 OGFRL1 (0.83) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880618 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL880833 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852163 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL852164 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1
SCHEMBL853583 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853006 0.84 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1

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 7 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-2433937-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
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed