SCHEMBL24633817

SCHEMBL24633817

CCN(CC(=O)NC)C(=O)[C@@H](N)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ DPP4 P27487 7/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GLS O94925 1/20 0.32

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
SCHEMBL8294191 0.69 L3MBTL1 (0.39) DPP4L3MBTL1
SCHEMBL8294196 0.69 L3MBTL1 (0.42) ALDH1A1DPP4L3MBTL1
SCHEMBL14421459 0.68 DPP4 (0.43) DPP4GLS
SCHEMBL24900230 0.68 DPP4 (0.43) DPP4GLS
SCHEMBL14097634 0.67 DPP4 (0.46) DPP4GLS
Hydrochloric Acid SCHEMBL3213539 0.67 DPP4 (0.42) DPP4
SCHEMBL1174765 0.67 DPP4 (0.46) DPP4GLS
SCHEMBL1174761 0.67 DPP4 (0.46) DPP4GLS
Hydrochloric Acid SCHEMBL3213524 0.67 DPP4 (0.42) DPP4
SCHEMBL6687939 0.66 ALDH1A1 (0.41) ALDH1A1DPP4

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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 — — WO disclosed
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