SCHEMBL11019022

SCHEMBL11019022

C=CCc1c(C)ccc(C)c1N1C(=O)c2cccc(C#N)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.43
▸ ANPEP P15144 4/20 0.36
▸ GRM1 Q13255 2/20 0.33
▸ GRM7 Q14831 2/20 0.33
▸ GRM4 Q14833 2/20 0.33
▸ PGR P06401 1/20 0.32
▸ ADORA2A P29274 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
SCHEMBL11019879 0.84 DPP4 (0.39) DPP4ANPEPGRM1GRM7GRM4
SCHEMBL11022195 0.84 DPP4 (0.45) DPP4ANPEPADORA2A
SCHEMBL11018522 0.81 DPP4 (0.63) DPP4ANPEP
SCHEMBL11018483 0.80 TYMS (0.43) DPP4ANPEP
SCHEMBL11017460 0.79 DPP4 (0.42) DPP4ANPEPGRM1GRM7GRM4
SCHEMBL11021529 0.79 DPP4 (0.45) DPP4ANPEPGRM1GRM4ADORA2A
SCHEMBL11018512 0.77 DPP4 (0.54) DPP4ANPEP
SCHEMBL11019199 0.77 DPP4 (0.41) DPP4ANPEPGRM1GRM7GRM4
SCHEMBL11022491 0.74 DPP4 (0.63) DPP4ANPEPPGRADORA2A
SCHEMBL11018434 0.74 DPP4 (0.55) DPP4ANPEP

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
Send feedback