SCHEMBL3977776

SCHEMBL3977776

CCOc1cc(CN2CCC(N(c3cc(C)c4ccccc4n3)N(c3cc(C)c4ccccc4n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.50
HRH1 P35367 3/20 0.50
HTR2B P41595 2/20 0.50
APP P05067 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3977762 0.88 SSTR5 (0.52) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL3974044 0.88 SSTR5 (0.48) SSTR5HRH1HTR2B
SCHEMBL3978562 0.83 SSTR5 (0.42) SSTR5HRH1HTR2B
SCHEMBL3976467 0.79 KDM4E (0.51) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4000512 0.79 SSTR5 (0.46) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL2420733 0.78 SSTR5 (0.66) SSTR5HRH1HTR2BAPPKDM4E
SCHEMBL2422671 0.78 SSTR5 (0.66) SSTR5HRH1HTR2BAPP
SCHEMBL3971809 0.78 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL3939333 0.77 SSTR5 (0.47) SSTR5HRH1HTR2BKMT2AMEN1
SCHEMBL3999701 0.77 SSTR5 (0.53) SSTR5HRH1HTR2BKMT2AMEN1

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