SCHEMBL853690

SCHEMBL853690

O=C1C(N2CC3CNCC3C2)Nc2ccccc2N1C1CCN(C2(C(=O)O)CCCCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 7/20 0.44
OPRM1 P35372 15/20 0.39
OPRK1 P41145 10/20 0.39
OPRD1 P41143 5/20 0.39
OPRL1 P41146 10/20 0.38
KCNH2 Q12809 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SSTR4 P31391 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL852496 0.92 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL855707 0.89 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854261 0.84 OPRM1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16714152 0.82 OPRM1 (0.38) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854436 0.71 OPRM1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880911 0.69 OGFRL1 (0.85) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL3948931 0.64 OPRM1 (0.63) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21548105 0.62 OGFRL1 (0.56) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880914 0.61 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
Phenylacetic Acid SCHEMBL27799591 0.60 OPRM1 (0.51) 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 8 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-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
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed