SCHEMBL10873209

SCHEMBL10873209

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)NC(=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.50
▸ CAPN1 P07384 2/20 0.49
▸ HTRA1 Q92743 1/20 0.49
▸ CTSL P07711 4/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ CTSB P07858 3/20 0.48
▸ CTSS P25774 2/20 0.48

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
SCHEMBL10909792 0.89 CTSB (0.55) CTSKHTRA1CTSB
SCHEMBL11006634 0.87 REN (0.49) CTSKCTSLPSMB5CTSBCTSS
SCHEMBL7938093 0.86 CAPN1 (0.60) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL7274809 0.84 CAPN1 (0.60) CTSKCAPN1HTRA1CTSLCTSB
SCHEMBL11013588 0.82 TACR1 (0.61) CTSKCTSLCTSBCTSS
SCHEMBL10979007 0.81 MME (0.54) CTSKCAPN1HTRA1CTSLCTSB
SCHEMBL10977845 0.81 MME (0.54) CTSKCAPN1HTRA1CTSLCTSB
SCHEMBL10636524 0.80 CTSK (0.54) CTSKCAPN1HTRA1CTSLPSMB5
SCHEMBL10636541 0.80 CTSL (0.59) CAPN1CTSLPSMB5CTSBCTSS
SCHEMBL19190188 0.80 MMP3 (0.49) CTSKCAPN1HTRA1CTSLCTSB

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-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 — — EP disclosed
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