SCHEMBL31374996

SCHEMBL31374996

NC(=O)O[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ HPGDS O60760 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
SCHEMBL28951067 0.87 CTSL (0.45) CTSLCTSB
SCHEMBL28951706 0.87 CTSL (0.45) CTSLCTSB
SCHEMBL28951711 0.87 CTSL (0.45) CTSLCTSB
SCHEMBL25206874 0.87 CTSL (0.42) CTSLCTSB
SCHEMBL25206872 0.87 CTSL (0.42) CTSLCTSB
SCHEMBL25206873 0.87 CTSL (0.42) CTSLCTSB
SCHEMBL24691129 0.85 CTSL (0.43) CTSLCTSBMMP1MMP2MMP3
SCHEMBL28951222 0.85 CTSL (0.49) CTSLCTSB
Hydrochloric Acid SCHEMBL31375039 0.84 CTSL (0.42) CTSLCTSBMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL31375027 0.84 CTSL (0.42) CTSLCTSBMMP1MMP2MMP3

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
CN-119306790-A Amide derivative, composition and use thereof 深圳市塔吉瑞生物医药有限公司 2025-01-14 — — CN disclosed
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