SCHEMBL6952182

SCHEMBL6952182

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)C(=O)c3ccccn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.51
ALK Q9UM73 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
GPR6 P46095 1/20 0.40
SLC2A1 P11166 1/20 0.39
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
CETP P11597 1/20 0.38
F10 P00742 1/20 0.38
KCNH2 Q12809 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 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
SCHEMBL8479655 0.90 GPR119 (0.47) GPR119ALKCCNCCDK8SLC2A1
SCHEMBL6951070 0.89 GPR119 (0.54) GPR119ALKPTPRBPTPN11F10
SCHEMBL6960654 0.88 GPR119 (0.53) GPR119ALKCCNCCDK8SLC2A1
SCHEMBL6951897 0.87 GPR119 (0.50) GPR119ALKCCNCCDK8SLC2A1
SCHEMBL6948410 0.87 GPR119 (0.58) GPR119ALKCCNCCDK8PTPRB
SCHEMBL6956441 0.87 GPR119 (0.51) GPR119ALKGPR6PTPRBPTPN11
SCHEMBL6955819 0.86 GPR119 (0.51) GPR119ALKCCNCCDK8PTPRB
SCHEMBL6959472 0.86 GPR119 (0.51) GPR119ALKSLC2A1PTPRBPTPN11
SCHEMBL6959665 0.86 GPR119 (0.52) GPR119ALKCCNCCDK8SLC2A1
SCHEMBL6956714 0.86 GPR119 (0.52) GPR119ALKPTPRBPTPN11CETP

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