SCHEMBL6959472

SCHEMBL6959472

COc1ccccc1C(=O)N(Cc1ccc2ccc(C#N)cc2c1)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
ALK Q9UM73 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
F10 P00742 2/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38

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
SCHEMBL8477005 0.92 GPR119 (0.48) GPR119ALKPDE4APDE4BPDE4C
SCHEMBL6956441 0.91 GPR119 (0.51) GPR119ALKPTPRBPTPN11F10
SCHEMBL6955819 0.90 GPR119 (0.51) GPR119ALKPTPRBPTPN11F10
SCHEMBL6951070 0.89 GPR119 (0.54) GPR119ALKPTPRBPTPN11F10
SCHEMBL6951483 0.89 GPR119 (0.53) GPR119ALKPDE4APDE4BPDE4C
SCHEMBL6948395 0.88 GPR119 (0.51) GPR119ALKF10KCNH2MEN1
SCHEMBL6948410 0.87 GPR119 (0.58) GPR119ALKPTPRBPTPN11F10
SCHEMBL8480357 0.86 GPR119 (0.49) GPR119ALKPTPRBPTPN11MEN1
SCHEMBL6952182 0.86 GPR119 (0.51) GPR119ALKPTPRBPTPN11F10
SCHEMBL6959665 0.86 GPR119 (0.52) GPR119ALKPTPRBPTPN11F10

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-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed