SCHEMBL30874829

SCHEMBL30874829

NC(=O)C1CCCN1C(=O)Cn1cccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.45
▸ DPP4 P27487 6/20 0.43
▸ HCRTR2 O43614 1/20 0.42
▸ CFD P00746 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ HTR1A P08908 5/20 0.39
▸ HTR7 P34969 5/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ ACE P12821 1/20 0.38

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
SCHEMBL30874905 0.81 DPP4 (0.40) DPP4CFDHTR1AHTR7VNN1
SCHEMBL30874954 0.78 KMT2A (0.45) DPP4CFDHTR1AHTR7KMT2A
SCHEMBL30874949 0.76 ALDH1A1 (0.44) DPP4HTR1AHTR7VNN1
SCHEMBL30874951 0.74 DPP4 (0.43) DPP4HTR1AHTR7ACE
SCHEMBL30874931 0.74 DPP4 (0.51) DPP4CFDHTR1AHTR7
SCHEMBL15856041 0.73 DPP4 (0.44) DPP4HTR1AHTR7ACE
SCHEMBL30874923 0.73 DPP4 (0.44) DPP4CFDHTR1AHTR7
SCHEMBL30874846 0.73 DPP4 (0.47) DPP4HTR1AHTR7
SCHEMBL4182356 0.73 DPP4 (0.47) DPP4HTR1AHTR7ACE
SCHEMBL6471923 0.73 DPP4 (0.47) DPP4HTR1AHTR7ACE

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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