SCHEMBL6959826

SCHEMBL6959826

CC(C)(C)OC(=O)N1CCC(Oc2ccc(NC(=O)c3ccc4ccc(C#N)cc4c3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.62
CETP P11597 3/20 0.49
ALK Q9UM73 1/20 0.48
PLAU P00749 2/20 0.47
CHEK2 O96017 1/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6954502 0.84 GPR119 (0.61) GPR119CETPALKCHEK2ALDH1A1
SCHEMBL6961126 0.82 GPR119 (0.58) GPR119ALKCHEK2
SCHEMBL225375 0.81 GPR119 (0.91) GPR119ALK
SCHEMBL8476721 0.81 GPR119 (0.50) GPR119CETPALK
SCHEMBL6959761 0.79 GPR119 (0.54) GPR119CETPALKCHEK2
SCHEMBL3340944 0.78 GPR119 (0.85) GPR119ALKCHEK2PTPN2PTPN1
SCHEMBL8469775 0.78 GPR119 (0.60) GPR119CETPALKCHEK2
SCHEMBL8115238 0.78 GPR119 (0.59) GPR119CETPALKPTPN2PTPN1
SCHEMBL8114017 0.77 GPR119 (0.59) GPR119CETPALKPTPN2PTPN1
SCHEMBL2573355 0.77 GPR119 (1.00) GPR119ALK

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