SCHEMBL11017790

SCHEMBL11017790

Cc1cccc(C(C)(C)C)c1N1C(=O)c2cccc(C(=O)NCCCl)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.43
▸ TYMS P04818 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ANPEP P15144 2/20 0.36
▸ GRM4 Q14833 5/20 0.35
▸ GRM1 Q13255 4/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL11018295 0.91 HTT (0.48) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11022682 0.85 DPP4 (0.48) DPP4TYMSALDH1A1ANPEPGRM4
SCHEMBL11017468 0.84 DPP4 (0.49) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11022232 0.82 DPP4 (0.50) DPP4TYMSANPEP
SCHEMBL11018014 0.81 DPP4 (0.56) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11022597 0.81 DPP4 (0.51) DPP4TYMSALDH1A1ANPEPPOLB
SCHEMBL11017877 0.80 DPP4 (0.48) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11018669 0.80 DPP4 (0.56) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11018336 0.75 DPP4 (0.50) DPP4TYMSALDH1A1HTTANPEP
SCHEMBL11022166 0.74 ANPEP (0.45) DPP4TYMSALDH1A1HTTANPEP

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
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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