SCHEMBL23506369

SCHEMBL23506369

CNCC(=O)NC(CC1CCNC1=O)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.52
▸ CTSB P07858 3/20 0.43
▸ F2 P00734 2/20 0.43
▸ F10 P00742 2/20 0.43
▸ CAPN1 P07384 1/20 0.43

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
SCHEMBL23506441 0.94 CTSL (0.48) CTSLCTSBF2F10CAPN1
SCHEMBL23506261 0.89 CTSL (0.49) CTSLCTSBF2F10CAPN1
SCHEMBL25292592 0.88 CTSL (0.55) CTSLCTSBF2F10CAPN1
SCHEMBL25292591 0.88 CTSL (0.55) CTSLCTSBF2F10CAPN1
SCHEMBL25292593 0.88 CTSL (0.55) CTSLCTSBF2F10CAPN1
SCHEMBL23506397 0.88 CTSL (0.53) CTSLCTSBCAPN1
SCHEMBL23506267 0.83 CTSL (0.45) CTSLF2F10CAPN1
SCHEMBL23506292 0.83 CTSL (0.45) CTSLF2F10CAPN1
SCHEMBL25765459 0.83 CTSL (0.67) CTSLCTSBCAPN1
SCHEMBL23711788 0.82 — —

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-3835296-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-06-16 — — EP disclosed
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