SCHEMBL3897950

SCHEMBL3897950

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)NCCOc3cc(C#N)ccc3I)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.56
F10 P00742 3/20 0.48
F2 P00734 1/20 0.46
ALK Q9UM73 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HDAC1 Q13547 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL6874416 0.87 GPR119 (0.52) GPR119F10F2ALKKDM4E
SCHEMBL3912286 0.86 F10 (0.60) GPR119F10F2ALKL3MBTL1
SCHEMBL6873899 0.86 GPR119 (0.51) GPR119F10F2ALKL3MBTL1
SCHEMBL6873900 0.86 GPR119 (0.51) GPR119F10F2ALKL3MBTL1
SCHEMBL6555091 0.85 GPR119 (0.50) GPR119F10F2ALKL3MBTL1
SCHEMBL6864795 0.84 GPR119 (0.51) GPR119F10F2ALKHDAC1
SCHEMBL6864800 0.84 GPR119 (0.51) GPR119F10F2ALKHDAC1
SCHEMBL3899270 0.83 GPR119 (0.48) GPR119F10F2ALKHDAC1
SCHEMBL3899273 0.83 GPR119 (0.48) GPR119F10F2ALKHDAC1
SCHEMBL3900652 0.77 RAB9A (0.46) F10

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