SCHEMBL29231069

SCHEMBL29231069

O=C(NC(c1ccccc1)c1ccc(C2CC(F)(F)C2)cn1)C1CC(F)CN1C(=O)Cc1ncco1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 14/20 0.35
▸ PSMB9 P28065 1/20 0.34
▸ EP300 Q09472 2/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ DRD2 P14416 1/20 0.30

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
SCHEMBL24665846 1.00 CFD (0.35) CFDPSMB9EP300CREBBPS1PR3
SCHEMBL30341463 1.00 CFD (0.35) CFDPSMB9EP300CREBBPS1PR3
SCHEMBL29820405 1.00 CFD (0.35) CFDPSMB9EP300CREBBPS1PR3
SCHEMBL29820569 0.89 CFD (0.37) CFDPSMB9EP300CREBBP
SCHEMBL24665847 0.89 CFD (0.37) CFDPSMB9EP300CREBBP
SCHEMBL30341422 0.89 CFD (0.37) CFDPSMB9EP300CREBBP
SCHEMBL29231397 0.89 CFD (0.37) CFDPSMB9EP300CREBBP
SCHEMBL24665540 0.88 CFD (0.36) CFDPSMB9EP300DRD2
SCHEMBL29230579 0.88 CFD (0.36) CFDPSMB9EP300DRD2
SCHEMBL29820571 0.88 CFD (0.36) CFDPSMB9EP300DRD2

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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