SCHEMBL30874949

SCHEMBL30874949

NC(=O)C1CCCN1C(=O)Cn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ DPP4 P27487 8/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ CYP2B6 P20813 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ TBXA2R P21731 1/20 0.37

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
SCHEMBL9554505 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL30874951 0.83 DPP4 (0.43) DPP4HTR1AHTR7
SCHEMBL21696498 0.81 ALDH1A1 (0.46) ALDH1A1CYP2B6
SCHEMBL21696700 0.77 F2 (0.43) —
SCHEMBL30874905 0.76 DPP4 (0.40) DPP4VNN1HTR1AHTR7
SCHEMBL30874829 0.76 GFER (0.45) DPP4VNN1HTR1AHTR7
SCHEMBL15126455 0.74 POLB (0.52) ALDH1A1
SCHEMBL15856041 0.73 DPP4 (0.44) DPP4HTR1AHTR7
SCHEMBL30874954 0.73 KMT2A (0.45) ALDH1A1DPP4HTR1AHTR7
SCHEMBL30874862 0.71 CYP19A1 (0.47) DPP4CYP19A1VNN1HTR1AHTR7

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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