SCHEMBL9542635

SCHEMBL9542635

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.64
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
ACE P12821 1/20 0.57
CCKBR P32239 5/20 0.56
REN P00797 1/20 0.55
KLK5 Q9Y337 1/20 0.54

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
SCHEMBL9543961 0.93 CTSL (0.62) CTSLCTSSCTSKCCKBRKLK5
SCHEMBL9543335 0.91 CTSL (0.63) CTSLCTSSCTSKCCKBR
SCHEMBL9544088 0.91 CTSL (0.64) CTSLCTSSCTSKCCKBRREN
SCHEMBL9543677 0.89 CTSL (0.63) CTSLCTSSCTSKCCKBR
SCHEMBL9543342 0.89 CTSL (0.63) CTSLCTSSCTSKCCKBR
SCHEMBL9542529 0.88 CCKBR (0.58) CTSLCTSSCTSKACECCKBR
SCHEMBL2374657 0.85 SCN9A (0.61) CTSLCTSSCTSKACE
SCHEMBL2374682 0.85 SCN9A (0.61) CTSLCTSSCTSKACE
SCHEMBL9545088 0.84 CCKBR (0.54) CTSLCTSSCTSKACECCKBR
SCHEMBL3825352 0.83 ACE (0.78) CTSLCTSSCTSKACECCKBR

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