SCHEMBL29230807

SCHEMBL29230807

O=C(O)[C@H]1CC(F)CN1C(=O)Cc1cnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 8/20 0.33
▸ ITGA4 P13612 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ FAP Q12884 1/20 0.31
▸ DPP4 P27487 3/20 0.31
▸ DPP8 Q6V1X1 2/20 0.31
▸ DPP7 Q9UHL4 2/20 0.31

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
SCHEMBL24664591 1.00 CFD (0.33) CFDITGA4CYP3A4CYP2D6CYP2C9
SCHEMBL29230804 1.00 CFD (0.33) CFDITGA4CYP3A4CYP2D6CYP2C9
SCHEMBL30874959 0.89 CNR2 (0.37) CFDFAP
SCHEMBL24666217 0.77 CFD (0.38) CFD
SCHEMBL24666276 0.77 CFD (0.38) CFD
SCHEMBL29231341 0.77 CFD (0.38) CFD
SCHEMBL24665428 0.77 CFD (0.38) CFD
SCHEMBL24666467 0.73 CFD (0.35) CFD
SCHEMBL24665821 0.73 CFD (0.35) CFDCYP3A4CYP2D6CYP2C9S1PR1
SCHEMBL30341231 0.73 CFD (0.35) CFD

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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