SCHEMBL7273522

SCHEMBL7273522

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CTSB P07858 1/20 0.43
▸ TRHR P34981 4/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ STAT3 P40763 1/20 0.40

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
SCHEMBL7282352 0.90 TRHR (0.43) CAPN1TRHR
SCHEMBL7282638 0.89 TRHR (0.43) TRHR
SCHEMBL7273124 0.88 TRHR (0.44) TRHR
SCHEMBL7272027 0.87 TRHR (0.42) TRHR
SCHEMBL7278905 0.86 TRHR (0.43) TRHR
SCHEMBL7272023 0.86 ACE (0.43) TRHR
SCHEMBL7271987 0.85 TRHR (0.42) TRHR
SCHEMBL7273569 0.85 ACE (0.45) TRHR
SCHEMBL7271979 0.85 TRHR (0.42) TRHR
SCHEMBL7274032 0.84 ELANE (0.44) KMT2AMEN1

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 3 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-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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