SCHEMBL3929666

SCHEMBL3929666

COc1cc(N(Cc2ccc(OC)c(OCC(C)C)c2)C2CCNCC2)nc(O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
IKBKB O14920 2/20 0.40
SLC6A2 P23975 8/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 4/20 0.39
ALOX15 P16050 1/20 0.39
SSTR5 P35346 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3931492 0.91 REN (0.41) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3928975 0.89 REN (0.44) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3939671 0.88 REN (0.45) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3938205 0.88 REN (0.39) RENSLC6A2SLC6A4SLC6A3PDE4A
SCHEMBL3939023 0.87 SLC6A2 (0.37) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3939710 0.83 SLC6A2 (0.40) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3939276 0.83 SLC6A2 (0.39) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3927956 0.82 SLC6A4 (0.39) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3937186 0.82 SLC6A2 (0.39) RENIKBKBSLC6A2SLC6A4SLC6A3
SCHEMBL3928888 0.79 ALOX15 (0.41) RENSLC6A2SLC6A4SLC6A3ALOX15

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-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed