SCHEMBL29230545

SCHEMBL29230545

CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)CNC(=O)N2CCN(C)CC2)c2ccccc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 1/20 0.39
▸ CFD P00746 8/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ XIAP P98170 3/20 0.33
▸ BIRC3 Q13489 3/20 0.33
▸ BIRC2 Q13490 3/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FAP Q12884 1/20 0.32

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
SCHEMBL30341240 1.00 PSMB9 (0.39) PSMB9CFDDRD2CCR5XIAP
SCHEMBL26815961 1.00 PSMB9 (0.39) PSMB9CFDDRD2CCR5XIAP
SCHEMBL29230582 0.95 PSMB9 (0.40) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL24664620 0.95 PSMB9 (0.40) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL24666301 0.93 PSMB9 (0.39) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL29230876 0.92 PSMB9 (0.37) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL24665812 0.92 PSMB9 (0.41) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL29231148 0.92 PSMB9 (0.41) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL24666415 0.91 CACNA2D1 (0.39) PSMB9CFDDRD2XIAPBIRC3
SCHEMBL24666414 0.91 PSMB9 (0.37) PSMB9CFDDRD2CCR5XIAP

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 3 patents. 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
EP-4308095-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF Maze Therapeutics, Inc. (US) 2024-01-24 — — EP disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 — — WO disclosed
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