SCHEMBL7272143

SCHEMBL7272143

CC1(C)CC(=O)CC1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.54
▸ OPRK1 P41145 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ TRHR P34981 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL7271566 0.92 OPRM1 (0.53) OPRM1TRHR
SCHEMBL7272470 0.85 TRHR (0.42) TRHR
SCHEMBL7273516 0.84 TRHR (0.42) TRHR
SCHEMBL7272196 0.83 CAPN1 (0.43) TRHR
SCHEMBL7273642 0.83 TRHR (0.41) TRHR
SCHEMBL7278687 0.82 OPRM1 (0.55) OPRM1OPRK1SLC6A2TRHROPRD1
SCHEMBL7278696 0.82 OPRM1 (0.55) OPRM1OPRK1SLC6A2TRHROPRD1
SCHEMBL7333526 0.82 TRHR (0.51) TRHR
SCHEMBL7273636 0.82 ACE (0.42) TRHR
SCHEMBL7278999 0.82 OPRM1 (0.55) OPRM1OPRK1TRHR

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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