SCHEMBL3978562

SCHEMBL3978562

CCOc1cc(CN2CCC(N(c3cc(C)c4ccccc4n3)N(c3cc(C)c4ccccc4n3)C3CCN(Cc4cc(OCC)c(Br)c(OCC)c4)CC3)CC2)cc(OCC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 15/20 0.42
SSTR1 P30872 1/20 0.42
HRH1 P35367 3/20 0.41
HTR2B P41595 2/20 0.41
HIF1A Q16665 1/20 0.39
SLC2A1 P11166 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36

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
SCHEMBL3974044 0.86 SSTR5 (0.48) SSTR5SSTR1HRH1HTR2B
SCHEMBL3977776 0.83 SSTR5 (0.50) SSTR5HRH1HTR2B
SCHEMBL3974073 0.78 SSTR5 (0.51) SSTR5SSTR1HRH1HTR2BSLC2A1
SCHEMBL2415829 0.78 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2BLMNA
SCHEMBL2418724 0.78 SSTR5 (0.54) SSTR5SSTR1HRH1HTR2BLMNA
SCHEMBL3997426 0.76 CYP3A4 (0.45) SSTR5SSTR1HRH1HTR2BLMNA
SCHEMBL27753757 0.74 SSTR5 (0.50) SSTR5SSTR1HRH1HTR2BLMNA
SCHEMBL28782398 0.74 SSTR5 (0.50) SSTR5SSTR1HRH1HTR2BLMNA
SCHEMBL3933800 0.72 SSTR5 (0.44) SSTR5SSTR1HRH1HTR2B
SCHEMBL2419515 0.71 SSTR5 (0.57) SSTR5SSTR1HRH1HTR2B

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-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