SCHEMBL3976840

SCHEMBL3976840

CCOc1cc(CN2CCC(N(c3ccc(Br)cn3)N(c3ccc([N+](=O)[O-])c(C)n3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 13/20 0.46
HRH1 P35367 3/20 0.40
KCNH2 Q12809 2/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2418260 0.77 SSTR5 (0.61) SSTR5HRH1KCNH2HTR2B
SCHEMBL3970950 0.74 SSTR5 (0.39) SSTR5HRH1KCNH2HTR2BALDH1A1
SCHEMBL3976467 0.72 KDM4E (0.51) SSTR5HRH1HTR2BALDH1A1NPSR1
SCHEMBL3972791 0.70 SSTR5 (0.51) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL2421605 0.70 SSTR5 (0.58) SSTR5HRH1KCNH2HTR2B
SCHEMBL3977762 0.70 SSTR5 (0.52) SSTR5HRH1HTR2BALDH1A1KDM4E
SCHEMBL4000428 0.68 SSTR5 (0.56) SSTR5HRH1KCNH2HTR2BALDH1A1
SCHEMBL3780377 0.68 SSTR5 (0.60) SSTR5HRH1KCNH2HTR2B
SCHEMBL3939333 0.68 SSTR5 (0.47) SSTR5HRH1KCNH2HTR2BALDH1A1
SCHEMBL2417943 0.67 SSTR5 (0.55) SSTR5HRH1KCNH2HTR2BALDH1A1

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 claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed