SCHEMBL6951070

SCHEMBL6951070

CC(C)(C)OC(=O)N1CCC(Oc2ccc(N(Cc3ccc4ccc(C#N)cc4c3)C(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.54
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALK Q9UM73 1/20 0.43
F10 P00742 3/20 0.43
F2 P00734 1/20 0.43
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL6951483 0.93 GPR119 (0.53) GPR119MEN1KMT2AALKF10
SCHEMBL6948395 0.93 GPR119 (0.51) GPR119MEN1KMT2AALKF10
SCHEMBL6960654 0.93 GPR119 (0.53) GPR119ALKF10F2KCNH2
SCHEMBL6951897 0.92 GPR119 (0.50) GPR119ALKF10F2KCNH2
SCHEMBL6948410 0.90 GPR119 (0.58) GPR119ALKF10F2PTPRB
SCHEMBL6956441 0.90 GPR119 (0.51) GPR119MEN1KMT2AALKF10
SCHEMBL6955819 0.89 GPR119 (0.51) GPR119ALKF10F2PTPRB
SCHEMBL6952182 0.89 GPR119 (0.51) GPR119ALKF10PTPRBPTPN11
SCHEMBL6959472 0.89 GPR119 (0.51) GPR119MEN1KMT2AALKF10
SCHEMBL6959665 0.89 GPR119 (0.52) GPR119MEN1KMT2AALKF10

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