SCHEMBL3974073

SCHEMBL3974073

CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4cc(OCC)c(Br)c(OCC)c4)CC3)CC2)cc(OCC)c1N

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.51
HRH1 P35367 4/20 0.41
SSTR1 P30872 1/20 0.41
HTR2B P41595 2/20 0.39
SLC2A1 P11166 1/20 0.37
TLR8 Q9NR97 1/20 0.37
KCNH2 Q12809 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
SCHEMBL3978562 0.78 SSTR5 (0.42) SSTR5HRH1SSTR1HTR2BSLC2A1
SCHEMBL3977762 0.78 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL3971809 0.78 SSTR5 (0.52) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3972791 0.77 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL2419396 0.77 SSTR5 (0.55) SSTR5HRH1HTR2B
SCHEMBL2423751 0.77 SSTR5 (0.68) SSTR5HRH1SSTR1HTR2B
SCHEMBL3974044 0.76 SSTR5 (0.48) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL4955256 0.73 SSTR5 (0.62) SSTR5HRH1SSTR1HTR2BKCNH2
SCHEMBL3973186 0.72 SSTR5 (0.49) SSTR5HRH1HTR2B
SCHEMBL4236623 0.71 SSTR5 (0.41) SSTR5KCNH2

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-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed