SCHEMBL6948369

SCHEMBL6948369

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.57
ALK Q9UM73 1/20 0.44
F10 P00742 3/20 0.40
KCNH2 Q12809 1/20 0.40
CETP P11597 1/20 0.40
F2 P00734 1/20 0.40
CHEK2 O96017 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM1A O60341 1/20 0.38
BCL2A1 Q16548 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MLNR O43193 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
SCHEMBL6951330 0.92 GPR119 (0.59) GPR119ALKF10KCNH2CETP
SCHEMBL6959973 0.92 GPR119 (0.58) GPR119ALKF10KCNH2CETP
SCHEMBL6955802 0.92 GPR119 (0.58) GPR119ALKF10KCNH2CETP
SCHEMBL6948410 0.91 GPR119 (0.58) GPR119ALKF10KCNH2CETP
SCHEMBL6961017 0.89 GPR119 (0.57) GPR119ALKF10KCNH2CETP
SCHEMBL6948609 0.89 GPR119 (0.56) GPR119ALKF10KCNH2CETP
SCHEMBL6961778 0.89 GPR119 (0.55) GPR119ALKF10KCNH2CETP
Hydrochloric Acid SCHEMBL6961945 0.88 GPR119 (0.54) GPR119ALKF10KCNH2CETP
SCHEMBL6956596 0.88 GPR119 (0.54) GPR119ALKF10KCNH2CETP
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 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