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SCHEMBL9543730

SCHEMBL9543730

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ CCKBR P32239 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KLK5 Q9Y337 1/20 0.52

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
SCHEMBL9545088 0.98 CCKBR (0.54) CTSLCTSSCTSKCCKBRMEN1
SCHEMBL9542529 0.93 CCKBR (0.58) CTSLCTSSCTSKCCKBR
SCHEMBL6802720 0.89 CTSL (0.58) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL9543961 0.88 CTSL (0.62) CTSLCTSSCTSKCCKBRKLK5
SCHEMBL9545302 0.85 KMT2A (0.55) CTSSCTSKMEN1KMT2A
SCHEMBL6160909 0.82 CTSL (0.50) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL9542635 0.81 CTSL (0.64) CTSLCTSSCTSKCCKBRKLK5
SCHEMBL12370569 0.81 CTSL (0.74) CTSLCTSSCTSKKLK5
SCHEMBL9543335 0.80 CTSL (0.63) CTSLCTSSCTSKCCKBRMEN1
SCHEMBL18540645 0.79 CTSL (0.75) CTSLCTSSCTSKMEN1KMT2A

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed