SCHEMBL4129632

SCHEMBL4129632

CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3ccnc4ccccc34)CC2)cc1OCC.CCOc1cc(CN2CCC(Nc3ccnc4ccccc34)CC2)cc(OCC)c1F

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.63
KCNH2 Q12809 1/20 0.49
HRH1 P35367 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2B P41595 1/20 0.42

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
SCHEMBL1880234 0.96 SSTR5 (0.67) SSTR5HRH1KDM4EMEN1ALDH1A1
SCHEMBL1880914 0.91 SSTR5 (0.64) SSTR5KCNH2HRH1KDM4EMEN1
SCHEMBL1878438 0.87 KDM4E (0.61) SSTR5KCNH2HRH1KDM4EMEN1
SCHEMBL4130369 0.83 SSTR5 (0.58) SSTR5KCNH2
SCHEMBL4125485 0.82 SSTR5 (0.65) SSTR5KCNH2HRH1HTR2B
SCHEMBL1876792 0.82 SSTR5 (0.65) SSTR5HRH1KDM4EMEN1ALDH1A1
SCHEMBL1881042 0.82 SSTR5 (0.52) SSTR5HRH1KDM4EMEN1ALDH1A1
SCHEMBL1880457 0.82 KDM4E (0.54) SSTR5HRH1KDM4EMEN1ALDH1A1
SCHEMBL1876062 0.82 SSTR5 (0.64) SSTR5HRH1KDM4EMEN1ALDH1A1
SCHEMBL1879016 0.81 SSTR5 (0.65) SSTR5HRH1KDM4EMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed