SCHEMBL6961017

SCHEMBL6961017

CCOC(=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 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.57
F10 P00742 3/20 0.44
ALK Q9UM73 1/20 0.44
KCNH2 Q12809 1/20 0.40
F2 P00734 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CETP P11597 1/20 0.39
CHEK2 O96017 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
BCL2A1 Q16548 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
SCHEMBL6956665 0.93 GPR119 (0.56) GPR119F10ALKKCNH2F2
SCHEMBL6951330 0.92 GPR119 (0.59) GPR119F10ALKKCNH2F2
SCHEMBL6961778 0.92 GPR119 (0.55) GPR119F10ALKKCNH2F2
SCHEMBL6956596 0.91 GPR119 (0.54) GPR119F10ALKKCNH2F2
Hydrochloric Acid SCHEMBL6961945 0.91 GPR119 (0.54) GPR119F10ALKKCNH2F2
SCHEMBL6948410 0.91 GPR119 (0.58) GPR119F10ALKKCNH2F2
Hydrochloric Acid SCHEMBL6961289 0.91 GPR119 (0.53) GPR119F10ALKKCNH2F2
SCHEMBL6955802 0.90 GPR119 (0.58) GPR119F10ALKKCNH2F2
SCHEMBL6959973 0.90 GPR119 (0.58) GPR119F10ALKKCNH2F2
SCHEMBL6948369 0.89 GPR119 (0.57) GPR119F10ALKKCNH2F2

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