SCHEMBL3997486

SCHEMBL3997486

CCOc1cc(CN2CCC(N(c3cnc4ccccc4c3)N(c3cnc4ccccc4c3)C3CCN(Cc4ccc(Cl)c(OCC)c4)CC3)CC2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.52
HRH1 P35367 5/20 0.52
HTR2B P41595 2/20 0.52
SSTR1 P30872 1/20 0.44
KCNH2 Q12809 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL3971809 0.86 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4000428 0.83 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2
SCHEMBL3973407 0.82 SSTR5 (0.47) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4000990 0.81 SSTR5 (0.52) SSTR5HRH1KCNH2HCRTR1HCRTR2
SCHEMBL4004390 0.79 SSTR5 (0.47) SSTR5HRH1KCNH2
SCHEMBL4002555 0.78 NPC1 (0.43) SSTR5HRH1HTR2B
SCHEMBL4000512 0.78 SSTR5 (0.46) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL1871649 0.78 SSTR5 (0.68) SSTR5HRH1HTR2BSSTR1
SCHEMBL1880126 0.78 SSTR5 (0.68) SSTR5HRH1HTR2B
SCHEMBL3996567 0.78 SSTR5 (0.46) 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-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP claimed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO claimed