SCHEMBL3937186

SCHEMBL3937186

CCOc1cc(CN(c2cc(OC)nc(O)n2)C2CCNCC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 8/20 0.39
SLC6A3 Q01959 8/20 0.39
IKBKB O14920 1/20 0.36
HTR6 P50406 1/20 0.36
KCNH2 Q12809 1/20 0.35
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TACR1 P25103 3/20 0.33
REN P00797 1/20 0.33
SSTR5 P35346 1/20 0.33
HRH1 P35367 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL3939710 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3931492 0.91 REN (0.41) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3939276 0.90 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3IKBKBHTR6
SCHEMBL3927956 0.89 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3IKBKBHTR6
SCHEMBL3939023 0.87 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3936556 0.86 IKBKB (0.36) SLC6A2SLC6A4SLC6A3IKBKBHTR6
SCHEMBL3928975 0.84 REN (0.44) SLC6A2SLC6A4SLC6A3IKBKBREN
SCHEMBL3939671 0.83 REN (0.45) SLC6A2SLC6A4SLC6A3IKBKBREN
SCHEMBL3929666 0.82 REN (0.40) SLC6A2SLC6A4SLC6A3IKBKBREN
SCHEMBL3938205 0.80 REN (0.39) SLC6A2SLC6A4SLC6A3REN

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