SCHEMBL3899273

SCHEMBL3899273

COC(=O)C(=Cc1ccc(C#N)cc1OCCNC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.48
F10 P00742 3/20 0.43
F2 P00734 1/20 0.42
CHEK2 O96017 3/20 0.40
ALK Q9UM73 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3899270 1.00 GPR119 (0.48) GPR119F10F2CHEK2ALK
SCHEMBL3894603 0.90 RORC (0.40) GPR119CHEK2CCNCCDK8HDAC1
SCHEMBL3894607 0.90 RORC (0.40) GPR119CHEK2CCNCCDK8HDAC1
SCHEMBL4074180 0.87 F10 (0.43) GPR119F10F2CHEK2PDE4A
SCHEMBL4074181 0.87 F10 (0.43) GPR119F10F2CHEK2PDE4A
SCHEMBL6873899 0.86 GPR119 (0.51) GPR119F10F2CHEK2ALK
SCHEMBL6873900 0.86 GPR119 (0.51) GPR119F10F2CHEK2ALK
SCHEMBL6864795 0.84 GPR119 (0.51) GPR119F10F2CHEK2ALK
SCHEMBL6864800 0.84 GPR119 (0.51) GPR119F10F2CHEK2ALK
SCHEMBL6555091 0.83 GPR119 (0.50) GPR119F10F2CHEK2ALK

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