SCHEMBL11018381

SCHEMBL11018381

CCC(O)c1cccc2c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.68
▸ ANPEP P15144 7/20 0.68
▸ NR1H2 P55055 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ KMT2A Q03164 1/20 0.36
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL11018214 0.87 DPP4 (0.74) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11018268 0.87 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11022641 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3
SCHEMBL11019003 0.81 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11017159 0.80 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3KMT2A
SCHEMBL11016604 0.80 DPP4 (0.71) DPP4ANPEPNR1H2NR1H3
SCHEMBL11018078 0.80 DPP4 (0.71) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11016750 0.79 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL11019616 0.79 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3ADORA2A
SCHEMBL2820118 0.78 DPP4 (0.78) 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
Send feedback