SCHEMBL6960654

SCHEMBL6960654

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)C(=O)c3ccncc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.53
SLC2A1 P11166 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ALK Q9UM73 1/20 0.43
F10 P00742 2/20 0.41
KCNH2 Q12809 1/20 0.41
CHEK2 O96017 1/20 0.40
F2 P00734 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL6951070 0.93 GPR119 (0.54) GPR119ALKF10KCNH2F2
SCHEMBL6951483 0.92 GPR119 (0.53) GPR119SLC2A1CCNCCDK8ALK
SCHEMBL6951897 0.92 GPR119 (0.50) GPR119SLC2A1CCNCCDK8ALK
SCHEMBL6948410 0.89 GPR119 (0.58) GPR119CCNCCDK8ALKF10
SCHEMBL6948395 0.89 GPR119 (0.51) GPR119SLC2A1CCNCCDK8ALK
SCHEMBL6952182 0.88 GPR119 (0.51) GPR119SLC2A1CCNCCDK8ALK
SCHEMBL6959665 0.88 GPR119 (0.52) GPR119SLC2A1CCNCCDK8ALK
SCHEMBL6948609 0.87 GPR119 (0.56) GPR119CCNCCDK8ALKF10
SCHEMBL6951330 0.87 GPR119 (0.59) GPR119CCNCCDK8ALKF10
SCHEMBL6959973 0.87 GPR119 (0.58) GPR119CCNCCDK8ALKF10

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