SCHEMBL9544907

SCHEMBL9544907

CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.56
CTSL P07711 4/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCKAR P32238 1/20 0.51

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
SCHEMBL9543677 0.85 CTSL (0.63) CCKBRCTSLCTSSCTSKTP53
SCHEMBL9543550 0.85 ACE (0.52) CTSK
SCHEMBL9543558 0.85 ACE (0.52) CTSK
SCHEMBL9543235 0.81 CCKBR (0.58) CCKBRCTSLCTSSCTSKTP53
SCHEMBL28770050 0.78 CTSL (0.58) CTSLCTSSCTSKTP53MAPT
SCHEMBL28770048 0.78 CTSL (0.58) CTSLCTSSCTSKTP53MAPT
SCHEMBL9544895 0.78 DPP4 (0.40) CCKBRMAPTMEN1KMT2A
SCHEMBL9543335 0.78 CTSL (0.63) CCKBRCTSLCTSSCTSKTP53
SCHEMBL9543961 0.77 CTSL (0.62) CCKBRCTSLCTSSCTSK
SCHEMBL30645665 0.77 ACE (0.63) CCKBRCTSLCTSSCTSKCCKAR

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