SCHEMBL6948609

SCHEMBL6948609

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)C(=O)C3CC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
PTPRB P23467 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALK Q9UM73 1/20 0.45
F10 P00742 3/20 0.41
KCNH2 Q12809 1/20 0.41
CETP P11597 1/20 0.41
F2 P00734 1/20 0.41
CHEK2 O96017 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MLNR O43193 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
SCHEMBL6954609 0.96 GPR119 (0.54) GPR119PTPRBPTPN11ALKF10
SCHEMBL6951330 0.92 GPR119 (0.59) GPR119ALKF10KCNH2CETP
SCHEMBL6948410 0.92 GPR119 (0.58) GPR119PTPRBPTPN11ALKF10
SCHEMBL6955802 0.90 GPR119 (0.58) GPR119ALKF10KCNH2CETP
SCHEMBL6959973 0.90 GPR119 (0.58) GPR119ALKF10KCNH2CETP
SCHEMBL6948369 0.89 GPR119 (0.57) GPR119ALKF10KCNH2CETP
SCHEMBL6961017 0.89 GPR119 (0.57) GPR119ALKF10KCNH2CETP
SCHEMBL6955454 0.89 GPR119 (0.54) GPR119PTPRBPTPN11ALKF10
SCHEMBL6951070 0.89 GPR119 (0.54) GPR119PTPRBPTPN11ALKF10
SCHEMBL6951483 0.88 GPR119 (0.53) GPR119ALKF10KCNH2F2

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 2 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
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed