SCHEMBL7258711

SCHEMBL7258711

CCN(CC)C(=O)c1ccc(/C(=C/CN2CCCC2)c2cccc(O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.53
OPRK1 P41145 12/20 0.53
OPRM1 P35372 10/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50

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
SCHEMBL7268687 1.00 OPRD1 (0.53) OPRD1OPRK1OPRM1CHRNB2CHRNB4
Citric Acid SCHEMBL7270037 0.90 OPRD1 (0.45) OPRD1OPRK1OPRM1CHRNB2CHRNB4
Citric Acid SCHEMBL7268682 0.90 OPRD1 (0.45) OPRD1OPRK1OPRM1CHRNB2CHRNB4
SCHEMBL7262605 0.86 OPRD1 (0.55) OPRD1OPRK1OPRM1
SCHEMBL7268714 0.80 OPRD1 (0.48) OPRD1OPRK1OPRM1
SCHEMBL7270013 0.80 OPRD1 (0.48) OPRD1OPRK1OPRM1
SCHEMBL7268720 0.80 OPRD1 (0.48) OPRD1OPRK1OPRM1
SCHEMBL1867393 0.75 HPGD (0.69) OPRD1OPRK1OPRM1
SCHEMBL10504148 0.73 CHRNB2 (0.59) OPRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10504144 0.73 CHRNB2 (0.59) OPRK1CHRNB2CHRNB4CHRNA3CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873330-B1 DIARYLALKENYLAMINE DERIVATIVES GLAXOSMITHKLINE SPA (IT) 2003-05-14 EP claimed
EP-0873330-B1 DIARYLALKENYLAMINE DERIVATIVES GLAXOSMITHKLINE SPA (IT) 2003-05-14 EP disclosed
US-6262104-B1 SELECTIVE DELTA OPIOID AGONISTS AND ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-17 US disclosed
EP-0873330-A1 DIARYLALKENYLAMINE DERIVATIVES Smithkline Beecham S.p.A. (IT) 1998-10-28 EP disclosed
WO-1997010230-A1 DIARYLALKENYLAMINE DERIVATIVES SMITHKLINE BEECHAM S.P.A. (IT) 1997-03-20 WO disclosed