SCHEMBL4002214

SCHEMBL4002214

CCCOc1cc(CN2CCC(N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)C3CCN(Cc4ccc(OC(F)F)c(OCC)c4)CC3)CC2)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.50
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALK Q9UM73 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ABCB1 P08183 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3998044 0.89 SSTR5 (0.45) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4000428 0.89 SSTR5 (0.56) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4002555 0.88 NPC1 (0.43) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL3997523 0.86 SSTR5 (0.45) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4002203 0.84 SSTR5 (0.53) SSTR5HRH1HTR2BALDH1A1ALK
SCHEMBL3996819 0.81 SSTR5 (0.48) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL3996567 0.81 SSTR5 (0.46) SSTR5HRH1HTR2BALDH1A1ABCB1
SCHEMBL3993879 0.80 SSTR5 (0.45) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL3997883 0.79 SSTR5 (0.43) SSTR5HRH1HTR2BALDH1A1ABCB1
SCHEMBL3998650 0.78 SSTR5 (0.47) SSTR5HRH1HTR2BKDM4EALDH1A1

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-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