SCHEMBL7206228

SCHEMBL7206228

CSCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 16/20 0.65
▸ OPRM1 P35372 8/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ CCKAR P32238 1/20 0.53
▸ CCKBR P32239 1/20 0.53

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
SCHEMBL29351381 0.94 OPRD1 (0.74) OPRD1OPRM1OPRK1CCKARCCKBR
Hydrochloric Acid SCHEMBL11235207 0.94 OPRD1 (0.73) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL7206949 0.92 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL7202100 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL11414413 0.90 OPRD1 (0.65) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL11496315 0.89 OPRD1 (0.73) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL29390218 0.88 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL11680970 0.88 OPRD1 (0.75) OPRD1OPRM1OPRK1
SCHEMBL7203848 0.88 NPY4R (0.54) OPRD1OPRM1OPRK1
Acetic Acid SCHEMBL2027936 0.88 OPRD1 (0.74) OPRD1OPRM1OPRK1

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-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 — — EP claimed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 — — EP claimed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 — — WO claimed
EP-0644772-B1 OPIOID PEPTIDES SOD CONSEILS RECH APPLIC (FR) 2003-04-02 — — EP disclosed
US-5663295-A ANALGESIC, ANTIDIARRHEA BIOMEASURE INC. (US) 1997-09-02 — — US disclosed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 — — EP disclosed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 — — EP disclosed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 — — WO disclosed
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