SCHEMBL3971809

SCHEMBL3971809

CCOc1cc(CN2CCC(N(c3ccc4ccccc4n3)N(c3ccc4ccccc4n3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.52
HRH1 P35367 5/20 0.52
HTR2B P41595 2/20 0.52
SSTR1 P30872 1/20 0.42
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
SCHEMBL3977762 0.90 SSTR5 (0.52) SSTR5HRH1HTR2B
SCHEMBL3997486 0.86 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3974044 0.85 SSTR5 (0.48) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3973407 0.82 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4082633 0.80 SSTR5 (0.43) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3972791 0.78 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL3974073 0.78 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3977776 0.78 SSTR5 (0.50) SSTR5HRH1HTR2B
SCHEMBL2419789 0.77 SSTR5 (0.69) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL2419779 0.77 SSTR5 (0.69) SSTR5HRH1HTR2B

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