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SCHEMBL30968649

SCHEMBL30968649

[2H]C([2H])(NC(=O)C(C)NC(=O)OC(C)(C)C)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.55
▸ CTSK P43235 6/20 0.55
▸ PTPN1 P18031 1/20 0.44
▸ SCN9A Q15858 6/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL30968591 1.00 CTSS (0.55) CTSSCTSKPTPN1SCN9AKMT2A
SCHEMBL30968605 1.00 CTSS (0.55) CTSSCTSKPTPN1SCN9AKMT2A
SCHEMBL30968603 0.88 CTSS (0.57) CTSSCTSKPTPN1SCN9AKMT2A
SCHEMBL30968604 0.88 CTSS (0.57) CTSSCTSKPTPN1SCN9AKMT2A
SCHEMBL29253672 0.88 CTSS (0.57) CTSSCTSKPTPN1SCN9AKMT2A
SCHEMBL30968648 0.83 ATM (0.53) CTSSCTSKKMT2AATMCTSL
SCHEMBL30968615 0.83 ATM (0.53) CTSSCTSKKMT2AATMCTSL
SCHEMBL30968600 0.83 ATM (0.53) CTSSCTSKKMT2AATMCTSL
SCHEMBL30968593 0.75 CARM1 (0.48) —
SCHEMBL30968590 0.75 CARM1 (0.48) —

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-118302410-A Deuterated functionalized derivatives of alpha-alanine, in particular for the treatment of neurological diseases 雅盖隆大学 2024-07-05 — — CN disclosed