SCHEMBL10448000

SCHEMBL10448000

CC[C@H](C)[C@H](NC(=O)C(CC(O)C(N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.57
▸ CTSB P07858 1/20 0.51
▸ CTSK P43235 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
SCHEMBL7319519 0.85 REN (0.48) RENCTSBCTSK
SCHEMBL10447998 0.83 REN (0.42) REN
SCHEMBL10447999 0.83 REN (0.42) REN
SCHEMBL10448119 0.78 REN (0.68) RENCTSBCTSK
SCHEMBL10448583 0.78 HRH3 (0.45) RENCTSBCTSK
SCHEMBL10448497 0.78 REN (0.60) RENCTSBCTSK
SCHEMBL10431112 0.75 REN (0.48) REN
SCHEMBL13912236 0.72 HTR1D (0.49) —
SCHEMBL28101252 0.71 LNPEP (0.51) RENCTSBCTSK
SCHEMBL28101246 0.70 REN (0.50) RENCTSBCTSK

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-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 — — EP disclosed
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