SCHEMBL29230932

SCHEMBL29230932

CC(C)c1ccc(C(NC(=O)[C@H]2CC(F)CN2C(=O)O)c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.39
▸ XIAP P98170 4/20 0.36
▸ DRD2 P14416 2/20 0.35
▸ S1PR4 O95977 4/20 0.35
▸ S1PR3 Q99500 4/20 0.35
▸ PSMB9 P28065 1/20 0.34
▸ S1PR2 O95136 3/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL29230926 1.00 CFD (0.39) CFDXIAPDRD2S1PR4S1PR3
SCHEMBL29230936 1.00 CFD (0.39) CFDXIAPDRD2S1PR4S1PR3
SCHEMBL24665819 0.88 HTRA1 (0.45) CFDDRD2S1PR3
SCHEMBL29231182 0.88 CFD (0.44) CFDXIAPLMNA
SCHEMBL29231188 0.88 CFD (0.44) CFDXIAPLMNA
SCHEMBL29231187 0.88 CFD (0.44) CFDXIAPLMNA
SCHEMBL24665612 0.87 S1PR2 (0.34) CFDXIAPDRD2S1PR4S1PR3
SCHEMBL24666031 0.87 S1PR2 (0.34) CFDXIAPDRD2S1PR4S1PR3
SCHEMBL24666492 0.87 PSMB9 (0.42) CFDPSMB9
SCHEMBL29230897 0.87 S1PR2 (0.34) CFDXIAPDRD2S1PR4S1PR3

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-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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