SCHEMBL7280071

SCHEMBL7280071

NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)C[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.53
▸ ACE P12821 2/20 0.52
▸ TRHR P34981 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL7280062 1.00 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7271234 0.88 OPRM1 (0.54) OPRM1ACETRHRACE2
SCHEMBL7323141 0.87 TRHR (0.49) TRHR
SCHEMBL7278674 0.86 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7278685 0.86 OPRM1 (0.53) OPRM1ACETRHRACE2
SCHEMBL7278789 0.86 PPID (0.43) OPRM1TRHR
SCHEMBL7273785 0.82 TRHR (0.56) OPRM1ACETRHR
SCHEMBL7278696 0.80 OPRM1 (0.55) OPRM1ACETRHR
SCHEMBL7278687 0.80 OPRM1 (0.55) OPRM1ACETRHR
SCHEMBL7271566 0.79 OPRM1 (0.53) OPRM1ACETRHRACE2

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 2 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 disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP disclosed
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