SCHEMBL9542529

SCHEMBL9542529

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.58
CTSL P07711 3/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
ACE P12821 1/20 0.57
REN P00797 1/20 0.55

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 0.96 CCKBR (0.54) CCKBRCTSLCTSSCTSKACE
SCHEMBL9543730 0.93 CTSL (0.55) CCKBRCTSLCTSSCTSK
SCHEMBL6802720 0.93 CTSL (0.58) CTSLCTSSCTSKACE
SCHEMBL9542635 0.88 CTSL (0.64) CCKBRCTSLCTSSCTSKACE
SCHEMBL6160909 0.86 CTSL (0.50) CTSLCTSSCTSKACE
SCHEMBL1357714 0.85 KMT2A (0.69) CTSLCTSSCTSKACE
SCHEMBL9544232 0.85 KMT2A (0.69) CTSLCTSSCTSKACE
SCHEMBL1357718 0.85 KMT2A (0.69) CTSLCTSSCTSKACE
SCHEMBL31484559 0.83 ACE (0.78) CCKBRCTSLCTSSCTSKACE
SCHEMBL3825352 0.83 ACE (0.78) CCKBRCTSLCTSSCTSKACE

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 1 patent. 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 disclosed