SCHEMBL3972445

SCHEMBL3972445

CCOc1cc(CN(c2cc(C(N)=O)ccn2)C2CCNCC2)cc(OCC)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.40
KCNH2 Q12809 2/20 0.40
PROKR1 Q8TCW9 1/20 0.38
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
HTR2A P28223 2/20 0.34
TACR1 P25103 1/20 0.34
MAPK14 Q16539 1/20 0.34
FLT4 P35916 1/20 0.34
PTK2 Q05397 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL3971762 0.88 SLC6A2 (0.39) SSTR5KCNH2PROKR1MAPK1SLC6A2
SCHEMBL3978586 0.87 PROKR1 (0.41) SSTR5KCNH2PROKR1MAPK1SLC6A2
SCHEMBL3973958 0.87 SSTR5 (0.40) SSTR5KCNH2MAPK1SLC6A2SLC6A4
SCHEMBL3970388 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL3971706 0.81 SLC6A2 (0.35) SSTR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3978560 0.80 RXRA (0.42) SSTR5
SCHEMBL3974287 0.80 IRAK4 (0.42) SLC6A2SLC6A4SLC6A3IRAK4HTR2A
SCHEMBL1380236 0.80 SSTR5 (0.54) SSTR5KCNH2MAPK1FLT4PTK2
SCHEMBL3970142 0.79 SSTR5 (0.34) SSTR5KCNH2PROKR1SLC6A2SLC6A4
SCHEMBL3971524 0.79 MAPK1 (0.36) SSTR5KCNH2MAPK1SLC6A2SLC6A4

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