SCHEMBL3996941

SCHEMBL3996941

CCOc1cc(CN2CCC(N(c3ccnc4ccccc34)N(c3ccnc4ccccc34)C3CCN(Cc4cc(OCC)c(-n5cccc5)c(OCC)c4)CC3)CC2)cc(OCC)c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.50
KCNH2 Q12809 8/20 0.49
SSTR3 P32745 1/20 0.48

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
SCHEMBL3999730 0.85 SSTR5 (0.53) SSTR5KCNH2SSTR3
SCHEMBL3999738 0.84 SSTR5 (0.53) SSTR5KCNH2SSTR3
SCHEMBL3999701 0.79 SSTR5 (0.53) SSTR5
SCHEMBL1876982 0.78 SSTR5 (0.57) SSTR5KCNH2SSTR3
SCHEMBL1878211 0.75 SSTR5 (0.53) SSTR5
SCHEMBL3998958 0.75 SSTR5 (0.53) SSTR5KCNH2SSTR3
SCHEMBL3995690 0.74 SSTR5 (0.43) SSTR5
SCHEMBL4000990 0.72 SSTR5 (0.52) SSTR5KCNH2SSTR3
SCHEMBL4233908 0.71 SSTR5 (0.44) SSTR5KCNH2SSTR3
SCHEMBL3873987 0.71 SSTR5 (0.68) SSTR5KCNH2SSTR3

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