SCHEMBL11017030

SCHEMBL11017030

COCc1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.61
▸ ANPEP P15144 7/20 0.61
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ TYMS P04818 1/20 0.38
▸ PDK2 Q15119 1/20 0.35
▸ ADORA2A P29274 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
SCHEMBL11018878 0.87 DPP4 (0.59) DPP4ANPEPNR1H2NR1H3
SCHEMBL11016230 0.86 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3
SCHEMBL11019541 0.85 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11018532 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3
SCHEMBL11016750 0.85 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11020927 0.84 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3
SCHEMBL11017819 0.84 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3TYMS
SCHEMBL11020270 0.84 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11018462 0.84 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11017134 0.84 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ADORA2A

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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