SCHEMBL4074181

SCHEMBL4074181

COC(=O)C(=Cc1ccc(C#N)c(OCCNC(=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
GPR119 Q8TDV5 3/20 0.43
F2 P00734 1/20 0.42
CHEK2 O96017 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL4074180 1.00 F10 (0.43) F10GPR119F2CHEK2PDE4A
SCHEMBL3899270 0.87 GPR119 (0.48) F10GPR119F2CHEK2PDE4A
SCHEMBL3899273 0.87 GPR119 (0.48) F10GPR119F2CHEK2PDE4A
SCHEMBL3894603 0.76 RORC (0.40) GPR119CHEK2MAPT
SCHEMBL3897950 0.76 GPR119 (0.56) F10GPR119F2PDE4APDE4B
SCHEMBL3912286 0.75 F10 (0.60) F10GPR119F2L3MBTL1
SCHEMBL6873900 0.75 GPR119 (0.51) F10GPR119F2CHEK2L3MBTL1
SCHEMBL6873899 0.75 GPR119 (0.51) F10GPR119F2CHEK2L3MBTL1
SCHEMBL6864795 0.73 GPR119 (0.51) F10GPR119F2CHEK2PDE4A
SCHEMBL6864800 0.73 GPR119 (0.51) F10GPR119F2CHEK2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed