SCHEMBL6959665

SCHEMBL6959665

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)C(=O)c3cccs3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.52
ALK Q9UM73 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 2/20 0.39
KCNH2 Q12809 1/20 0.39
F2 P00734 1/20 0.39
CETP P11597 1/20 0.37
PTPRB P23467 1/20 0.37
PTPN11 Q06124 1/20 0.37
SLC2A1 P11166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CHEK2 O96017 1/20 0.37

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 0.89 GPR119 (0.54) GPR119ALKMEN1KMT2AF10
SCHEMBL6948410 0.88 GPR119 (0.58) GPR119ALKF10KCNH2F2
SCHEMBL6960654 0.88 GPR119 (0.53) GPR119ALKF10KCNH2F2
SCHEMBL6956714 0.87 GPR119 (0.52) GPR119ALKF10KCNH2F2
SCHEMBL6951483 0.87 GPR119 (0.53) GPR119ALKMEN1KMT2AF10
SCHEMBL6948609 0.87 GPR119 (0.56) GPR119ALKF10KCNH2F2
SCHEMBL6951330 0.87 GPR119 (0.59) GPR119ALKF10KCNH2F2
SCHEMBL6948395 0.86 GPR119 (0.51) GPR119ALKMEN1KMT2AF10
Hydrochloric Acid SCHEMBL6956032 0.86 GPR119 (0.51) GPR119ALKF10KCNH2F2
SCHEMBL6956441 0.86 GPR119 (0.51) GPR119ALKMEN1KMT2AF10

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