SCHEMBL30874806

SCHEMBL30874806

NC(=O)C1CCCN1C(=O)Cc1[nH]nnc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.40
▸ HTR7 P34969 12/20 0.40
▸ MTOR P42345 4/20 0.39
▸ PIK3CA P42336 4/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ DPP4 P27487 2/20 0.35

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
SCHEMBL30874924 0.88 HTR1A (0.39) HTR1AHTR7DPP4
SCHEMBL30874950 0.79 DPP4 (0.42) HTR1AHTR7DPP4
SCHEMBL30874930 0.76 DPP4 (0.43) HTR1AHTR7DPP4
SCHEMBL30874828 0.72 DPP4 (0.40) HTR1AHTR7DPP4
SCHEMBL30341409 0.69 DPP4 (0.41) HTR1AHTR7DPP4
SCHEMBL30874864 0.66 VNN1 (0.47) HTR1AHTR7DPP4
SCHEMBL30874847 0.66 DPP4 (0.47) HTR1AHTR7DPP4
SCHEMBL30874862 0.64 CYP19A1 (0.47) HTR1AHTR7DPP4
SCHEMBL1493753 0.64 DPP4 (0.47) HTR1AHTR7DPP4
SCHEMBL8772871 0.64 DPP4 (0.56) HTR1AHTR7DPP4

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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