SCHEMBL23035155

SCHEMBL23035155

COC(=O)C[C@@H](C)N(CCc1ccccc1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.44
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 5/20 0.43
▸ SYK P43405 1/20 0.42
▸ AKT1 P31749 2/20 0.41
▸ REN P00797 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ KLK5 Q9Y337 1/20 0.38

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
SCHEMBL17784914 0.90 AKT1 (0.48) SIGMAR1CTSKCTSSSYKAKT1
SCHEMBL17784913 0.90 AKT1 (0.48) SIGMAR1CTSKCTSSSYKAKT1
SCHEMBL23035087 0.81 AKT1 (0.50) SIGMAR1CTSKCTSSSYKAKT1
SCHEMBL23035088 0.81 AKT1 (0.50) SIGMAR1CTSKCTSSSYKAKT1
SCHEMBL20578347 0.81 CTSS (0.45) CTSKCTSSAKT1
SCHEMBL20578346 0.81 CTSS (0.45) CTSKCTSSAKT1
SCHEMBL20578302 0.80 HPGD (0.38) CTSKCTSSAKT1
SCHEMBL20578301 0.80 HPGD (0.38) CTSKCTSSAKT1
SCHEMBL20578332 0.80 GAA (0.43) AKT1
SCHEMBL20578055 0.80 CACNA1B (0.42) AKT1

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-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 — — EP disclosed
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