SCHEMBL3939710

SCHEMBL3939710

CCOc1cc(CN(c2cc(OC)nc(O)n2)C2CCNCC2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 7/20 0.40
IKBKB O14920 5/20 0.39
KCNH2 Q12809 1/20 0.36
SSTR5 P35346 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
REN P00797 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL3931492 0.93 REN (0.41) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3939276 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3927956 0.91 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3937186 0.91 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3939023 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3936556 0.88 IKBKB (0.36) SLC6A2SLC6A4SLC6A3IKBKBKCNH2
SCHEMBL3928975 0.85 REN (0.44) SLC6A2SLC6A4SLC6A3IKBKBSSTR5
SCHEMBL3939671 0.84 REN (0.45) SLC6A2SLC6A4SLC6A3IKBKBKDM4E
SCHEMBL3938205 0.84 REN (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL3929666 0.83 REN (0.40) SLC6A2SLC6A4SLC6A3IKBKBSSTR5

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