SCHEMBL11021077

SCHEMBL11021077

CC(C)c1cc(C(C)C)c(N2C(=O)c3cccc(C#N)c3C2=O)c(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.52
▸ ANPEP P15144 5/20 0.52
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ PGR P06401 1/20 0.33
▸ USP8 P40818 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL11017362 0.90 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3PGR
SCHEMBL11018434 0.82 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018124 0.78 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018522 0.77 DPP4 (0.63) DPP4ANPEP
SCHEMBL17531036 0.77 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL11018319 0.77 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3
SCHEMBL11021557 0.77 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3
SCHEMBL17531032 0.76 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3USP8
SCHEMBL11022491 0.75 DPP4 (0.63) DPP4ANPEPPGR
SCHEMBL11016971 0.75 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3

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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