SCHEMBL3971762

SCHEMBL3971762

CCOc1cc(CN(c2cc(C(N)=O)ccn2)C2CCNCC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 5/20 0.39
SSTR5 P35346 3/20 0.38
PROKR1 Q8TCW9 1/20 0.38
KCNH2 Q12809 1/20 0.37
TACR1 P25103 3/20 0.36
MAPK1 P28482 1/20 0.35
REN P00797 1/20 0.35
OPRK1 P41145 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KIFC1 Q9BW19 1/20 0.34
IKBKB O14920 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
SCHEMBL3978586 0.90 PROKR1 (0.41) SLC6A2SLC6A4SLC6A3SSTR5PROKR1
SCHEMBL3972445 0.88 SSTR5 (0.40) SLC6A2SLC6A4SLC6A3SSTR5PROKR1
SCHEMBL3971901 0.87 SSTR5 (0.43) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL3973243 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2TACR1
SCHEMBL4703982 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL3973033 0.81 SSTR5 (0.42) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL4705064 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL3977612 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SSTR5KCNH2
SCHEMBL3972925 0.78 MAPK1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2MAPK1
SCHEMBL3974287 0.78 IRAK4 (0.42) SLC6A2SLC6A4SLC6A3IRAK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed