SCHEMBL852496

SCHEMBL852496

NC(=O)C1(N2CCC(N3C(=O)C(N4CC5CNCC5C4)Nc4ccccc43)CC2)CCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 5/20 0.53
OPRM1 P35372 10/20 0.38
OPRK1 P41145 6/20 0.38
OPRD1 P41143 4/20 0.38
OPRL1 P41146 6/20 0.37
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL853690 0.92 OGFRL1 (0.44) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL855707 0.85 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL16714152 0.78 OPRM1 (0.38) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854261 0.77 OPRM1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL21548105 0.71 OGFRL1 (0.56) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880914 0.69 OGFRL1 (1.00) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854436 0.67 OPRM1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL3048247 0.66 OGFRL1 (0.41) OGFRL1OPRM1OPRK1OPRL1KCNH2
SCHEMBL852995 0.62 OGFRL1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880911 0.61 OGFRL1 (0.85) 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 6 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-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-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