SCHEMBL30874905

SCHEMBL30874905

NC(=O)C1CCCN1C(=O)Cn1ccnn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.40
▸ CFD P00746 2/20 0.38
▸ HTR1A P08908 4/20 0.37
▸ HTR7 P34969 4/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ ACE P12821 1/20 0.36

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
SCHEMBL30874954 0.81 KMT2A (0.45) DPP4CFDHTR1AHTR7
SCHEMBL30874829 0.81 GFER (0.45) DPP4CFDHTR1AHTR7VNN1
SCHEMBL30874951 0.77 DPP4 (0.43) DPP4HTR1AHTR7ACE
SCHEMBL30874949 0.76 ALDH1A1 (0.44) DPP4HTR1AHTR7VNN1
SCHEMBL30874923 0.75 DPP4 (0.44) DPP4CFDHTR1AHTR7
SCHEMBL15856041 0.73 DPP4 (0.44) DPP4HTR1AHTR7ACE
SCHEMBL30874926 0.73 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874850 0.73 DPP4 (0.47) DPP4CFDHTR1AHTR7
SCHEMBL30874932 0.73 DPP4 (0.45) DPP4CFDHTR1AHTR7
SCHEMBL18037590 0.71 PKM (0.42) CYP2C9

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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