SCHEMBL4130369

SCHEMBL4130369

CCOC(=O)c1c(OCC)cc(CN2CCC(Nc3ccnc(C)c3)CC2)cc1OCC.CCOc1cc(CN2CCC(Nc3ccnc(C)c3)CC2)cc(OCC)c1F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.58
KCNH2 Q12809 2/20 0.51
SSTR1 P30872 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
SCHEMBL1878131 0.96 SSTR5 (0.62) SSTR5KCNH2SSTR1
SCHEMBL1874534 0.91 SSTR5 (0.58) SSTR5KCNH2
SCHEMBL27779798 0.86 SSTR5 (0.53) SSTR5KCNH2
SCHEMBL4129632 0.83 SSTR5 (0.63) SSTR5KCNH2
SCHEMBL4125485 0.83 SSTR5 (0.65) SSTR5KCNH2
SCHEMBL1877058 0.82 SSTR5 (0.59) SSTR5
SCHEMBL1874576 0.81 SSTR5 (0.46) SSTR5SSTR1
SCHEMBL1878382 0.81 SSTR5 (0.58) SSTR5KCNH2SSTR1
SCHEMBL1877959 0.81 SSTR5 (0.53) SSTR5SSTR1
SCHEMBL1877373 0.81 SSTR5 (0.63) SSTR5KCNH2SSTR1

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 disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed