SCHEMBL7271810

SCHEMBL7271810

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.38
▸ TRHR P34981 3/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRK1 P41145 2/20 0.37

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
SCHEMBL7281074 0.88 ACE (0.44) TRHR
SCHEMBL7273642 0.86 TRHR (0.41) TRHR
SCHEMBL7273636 0.85 ACE (0.42) TRHR
SCHEMBL7272470 0.84 TRHR (0.42) TRHR
SCHEMBL7273111 0.84 TRHR (0.42) EPHA2TRHR
SCHEMBL7273516 0.84 TRHR (0.42) TRHR
SCHEMBL7272196 0.83 CAPN1 (0.43) TRHR
SCHEMBL7278785 0.82 EPHA2 (0.39) EPHA2TRHROPRM1OPRK1
SCHEMBL7278770 0.82 EPHA2 (0.39) EPHA2TRHROPRM1OPRK1
SCHEMBL7281332 0.82 TRHR (0.41) EPHA2TRHR

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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