SCHEMBL11019971

SCHEMBL11019971

CCNCCOCc1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.51
▸ ANPEP P15144 7/20 0.51
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ TYMS P04818 1/20 0.36
▸ ADRB2 P07550 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11019541 0.88 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11017819 0.87 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11019269 0.86 DPP4 (0.54) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11018878 0.85 DPP4 (0.59) DPP4ANPEPNR1H2NR1H3
SCHEMBL11020002 0.83 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11018552 0.81 DPP4 (0.51) DPP4ANPEPNR1H2NR1H3MEN1
SCHEMBL11017030 0.81 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11020927 0.80 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3MEN1
SCHEMBL11016230 0.78 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11018532 0.77 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3KMT2A

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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