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SCHEMBL9543677

SCHEMBL9543677

CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.63
▸ CCKBR P32239 9/20 0.56
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AMY2A P04746 8/20 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
SCHEMBL9543335 0.91 CTSL (0.63) CTSLCCKBRCTSSCTSKTP53
SCHEMBL9543961 0.90 CTSL (0.62) CTSLCCKBRCTSSCTSK
SCHEMBL9543342 0.90 CTSL (0.63) CTSLCCKBRCTSSCTSKTP53
SCHEMBL9544088 0.89 CTSL (0.64) CTSLCCKBRCTSSCTSKTP53
SCHEMBL9542635 0.89 CTSL (0.64) CTSLCCKBRCTSSCTSK
SCHEMBL9544907 0.85 CCKBR (0.56) CTSLCCKBRCTSSCTSKTP53
SCHEMBL9543251 0.85 CTSK (0.65) CTSLCTSSCTSKMAPT
SCHEMBL9543730 0.79 CTSL (0.55) CTSLCCKBRCTSSCTSK
SCHEMBL9542529 0.77 CCKBR (0.58) CTSLCCKBRCTSSCTSK
SCHEMBL12371600 0.77 CTSL (1.00) CTSLCTSSCTSKTP53MAPT

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