SCHEMBL7271234

SCHEMBL7271234

C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.54
▸ ACE P12821 5/20 0.53
▸ TRHR P34981 1/20 0.51
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ ACE2 Q9BYF1 4/20 0.48

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
SCHEMBL7278687 0.92 OPRM1 (0.55) OPRM1ACETRHROPRD1OPRK1
SCHEMBL7278696 0.92 OPRM1 (0.55) OPRM1ACETRHROPRD1OPRK1
SCHEMBL7278685 0.89 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7278674 0.89 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7280062 0.88 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7280071 0.88 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7282352 0.85 TRHR (0.43) TRHR
SCHEMBL7282638 0.84 TRHR (0.43) TRHR
SCHEMBL7273818 0.84 TRHR (0.56) OPRM1ACETRHR
SCHEMBL7272023 0.84 ACE (0.43) ACETRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP claimed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP claimed
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP disclosed
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