SCHEMBL7378143

SCHEMBL7378143

N=C(N)NCCC[C@@H]([C]=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.56
▸ CTSB P07858 2/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ TACR1 P25103 2/20 0.53

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
SCHEMBL7378138 1.00 CTSL (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL27562471 0.91 CTSL (0.48) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9301339 0.90 HTT (0.47) CTSLCTSBCTSSCTSK
SCHEMBL27543265 0.90 HTT (0.47) CTSLCTSBCTSSCTSK
SCHEMBL333826 0.90 HTT (0.47) CTSLCTSBCTSSCTSK
SCHEMBL27537730 0.87 CTSL (0.44) CTSLCTSBCTSSCTSK
SCHEMBL27537720 0.87 CTSL (0.44) CTSLCTSBCTSSCTSK
SCHEMBL5929274 0.87 CTSL (0.73) CTSLCTSBCTSSCTSKTACR1
SCHEMBL3381295 0.87 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL27559585 0.86 LGMN (0.45) CTSLCTSBCTSSCTSK

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
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 — — WO claimed
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