SCHEMBL13880922

SCHEMBL13880922

CCN1CC(NC(=O)c2ccc(N)c(OC)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.53
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR1D P28221 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
MCHR1 Q99705 3/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL3548018 0.91 HTR4 (0.57) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL3936747 0.91 HTR4 (0.57) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL1560183 0.88 HTR4 (0.63) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL13175586 0.87 HTR4 (0.53) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL13175766 0.86 HTR4 (0.50) HTR4MEN1KMT2ACHRM4CHRM5
SCHEMBL2546256 0.83 MAPK14 (0.52) HTR4MEN1MAPTKMT2A
SCHEMBL13175824 0.83 HRH3 (0.49) HTR4MEN1KMT2ACYP2D6CYP2C9
SCHEMBL12893438 0.82 HTR4 (0.52) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL12893778 0.82 HTR4 (0.52) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL12825889 0.82 HTR4 (0.55) HTR4CHRM4CHRM5ADRA2CCHRM3

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-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed