SCHEMBL4767291

SCHEMBL4767291

CCCC(F)OC(=O)N1CCC(C#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
F2R P25116 2/20 0.33
DPP4 P27487 6/20 0.33
DPP8 Q6V1X1 2/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
SLC6A3 Q01959 1/20 0.32
DPP9 Q86TI2 1/20 0.31
MDM2 Q00987 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4440022 0.84 DPP4 (0.39) CTSKGAANOS3NOS2DPP4
SCHEMBL3664088 0.80 GAA (0.35) CTSKGAANOS3NOS2DPP4
SCHEMBL5713338 0.80 L3MBTL1 (0.38) L3MBTL1SLC6A3CHRM1ALDH1A1POLB
SCHEMBL3664525 0.79 L3MBTL1 (0.40) THRBATML3MBTL1CHRM1ALDH1A1
SCHEMBL458221 0.77 GPR119 (0.41) DPP4GPR119
SCHEMBL3636033 0.76 CA2 (0.35) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18932481 0.76 GPR119 (0.41) CTSKGAADPP4GPR119
SCHEMBL5035936 0.75 GAA (0.59) GAANOS3NOS2THRBATM
SCHEMBL5595638 0.75 ALDH1A1 (0.33) GAAALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7488600 0.74 PRMT5 (0.38) CTSKDPP4ALDH1A1POLBSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957058-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2008-08-20 EP disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
EP-1773821-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-04-18 EP disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed