SCHEMBL3978586

SCHEMBL3978586

CCOc1cc(CN(c2cc(C(N)=O)ccn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.41
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TACR1 P25103 5/20 0.38
SSTR5 P35346 4/20 0.37
KCNH2 Q12809 2/20 0.37
SSTR1 P30872 1/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MBTPS1 Q14703 1/20 0.35
MAPK1 P28482 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 0.90 SLC6A2 (0.39) PROKR1SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL3973812 0.88 SSTR5 (0.38) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL3972445 0.87 SSTR5 (0.40) PROKR1SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL4222744 0.84 TACR1 (0.38) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL3973780 0.83 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL3972620 0.82 TACR1 (0.38) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL4704666 0.82 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL3977983 0.81 SSTR5 (0.41) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL3968604 0.80 SSTR5 (0.40) SLC6A4SLC6A2SLC6A3TACR1SSTR5
SCHEMBL3973823 0.79 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3TACR1SSTR5

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