SCHEMBL10754242

SCHEMBL10754242

O=[PH2]OC(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.46
▸ CTSL P07711 11/20 0.46
▸ CTSS P25774 7/20 0.46
▸ CTSK P43235 7/20 0.46
▸ CTSB P07858 4/20 0.46
▸ TACR1 P25103 1/20 0.44

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
SCHEMBL10715998 0.88 REN (0.45) RENCTSLCTSSCTSKCTSB
SCHEMBL10754244 0.81 CTSL (0.38) RENCTSLCTSSCTSKCTSB
SCHEMBL10443977 0.80 CTSL (0.57) CTSLCTSSCTSKCTSBTACR1
SCHEMBL10443715 0.79 REN (0.55) REN
SCHEMBL10443798 0.79 REN (0.55) REN
SCHEMBL10716091 0.79 REN (0.44) RENCTSLCTSSCTSKCTSB
SCHEMBL9551368 0.79 CTSL (0.54) CTSLCTSSCTSKCTSBTACR1
SCHEMBL10633347 0.79 CTSL (0.53) CTSLCTSSCTSKCTSBTACR1
SCHEMBL9666956 0.79 CTSL (0.54) CTSLCTSSCTSKCTSBTACR1
SCHEMBL9551274 0.79 CTSL (0.54) CTSLCTSSCTSKCTSBTACR1

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-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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