SCHEMBL3971901

SCHEMBL3971901

CCOc1cc(CN(c2ccc(C(N)=O)cn2)C2CCNCC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.43
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 5/20 0.37
KCNH2 Q12809 2/20 0.37
KIFC1 Q9BW19 1/20 0.36
TACR1 P25103 3/20 0.36
MAPK1 P28482 1/20 0.35
REN P00797 1/20 0.35
RXRA P19793 1/20 0.34
MBTPS1 Q14703 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
SCHEMBL3973033 0.92 SSTR5 (0.42) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3977612 0.91 SLC6A2 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3972925 0.91 MAPK1 (0.44) SLC6A2SLC6A4SLC6A3KCNH2MAPK1
SCHEMBL3972873 0.90 SLC6A9 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3973812 0.90 SSTR5 (0.38) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3971524 0.89 MAPK1 (0.36) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3977954 0.88 TACR1 (0.37) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3973958 0.88 SSTR5 (0.40) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3971762 0.87 SLC6A2 (0.39) SSTR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4703982 0.87 SLC6A2 (0.41) SSTR5SLC6A2SLC6A4SLC6A3KCNH2

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