SCHEMBL7278687

SCHEMBL7278687

C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.55
▸ OPRK1 P41145 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ TRHR P34981 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ ACE P12821 1/20 0.44

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
SCHEMBL7278696 1.00 OPRM1 (0.55) OPRM1OPRK1SLC6A2TRHROPRD1
SCHEMBL7271234 0.92 OPRM1 (0.54) OPRM1OPRK1TRHROPRD1ACE
SCHEMBL7271643 0.85 OPRM1 (0.53) OPRM1TRHR
SCHEMBL7282352 0.85 TRHR (0.43) TRHR
SCHEMBL7282638 0.84 TRHR (0.43) TRHR
SCHEMBL7278999 0.83 OPRM1 (0.55) OPRM1OPRK1TRHR
SCHEMBL7273124 0.83 TRHR (0.44) TRHR
SCHEMBL7273522 0.83 CAPN1 (0.44) TRHR
SCHEMBL7272143 0.82 OPRM1 (0.54) OPRM1OPRK1SLC6A2TRHROPRD1
SCHEMBL7272027 0.82 TRHR (0.42) TRHR

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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