SCHEMBL7283369

SCHEMBL7283369

CC(C)C(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)N(C=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ REN P00797 17/20 0.39
▸ PGC P20142 1/20 0.38
▸ CTSL P07711 1/20 0.36

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
SCHEMBL7284110 0.88 CTSS (0.44) CTSSCTSKRENPGC
SCHEMBL7363123 0.87 REN (0.43) CTSSCTSKRENPGC
SCHEMBL10718485 0.85 CTSS (0.47) CTSSCTSKRENPGC
SCHEMBL7277213 0.84 REN (0.44) CTSSCTSKREN
SCHEMBL7307303 0.80 CTSS (0.43) CTSSCTSKRENPGC
SCHEMBL10715988 0.80 REN (0.41) CTSSCTSKREN
SCHEMBL7274934 0.80 REN (0.45) CTSSCTSKRENCTSL
SCHEMBL7307293 0.80 CTSS (0.44) CTSSCTSKRENPGC
SCHEMBL7277678 0.80 MME (0.48) CTSL
SCHEMBL10718460 0.79 REN (0.47) CTSSCTSKRENCTSL

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
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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