SCHEMBL11017119

SCHEMBL11017119

CCc1cc(CC)c(N2C(=O)c3cccc(C#N)c3C2=O)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.51
▸ ANPEP P15144 3/20 0.51
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL11022491 0.89 DPP4 (0.63) DPP4ANPEPCRHBPCRHR2LMNA
SCHEMBL11018512 0.82 DPP4 (0.54) DPP4ANPEPCRHBPCRHR2LMNA
SCHEMBL11018522 0.78 DPP4 (0.63) DPP4ANPEPLMNAL3MBTL1ALDH1A1
SCHEMBL11019781 0.77 DPP4 (0.54) DPP4ANPEPCRHBPCRHR2LMNA
SCHEMBL11019967 0.76 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2LMNA
SCHEMBL11018731 0.76 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2LMNA
SCHEMBL11019298 0.75 DPP4 (0.52) DPP4ANPEPMAPTHTTL3MBTL1
SCHEMBL11017362 0.75 DPP4 (0.64) DPP4ANPEPMGLLPGR
SCHEMBL11022195 0.74 DPP4 (0.45) DPP4ANPEPPDE10A
SCHEMBL11021077 0.73 DPP4 (0.52) DPP4ANPEPPGR

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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