SCHEMBL4222744

SCHEMBL4222744

CCOc1cc(CN(c2cnc(C(N)=O)cn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.38
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 5/20 0.37
SSTR5 P35346 5/20 0.37
SLC6A3 Q01959 4/20 0.37
KCNH2 Q12809 2/20 0.37
SSTR1 P30872 1/20 0.37
HRH1 P35367 1/20 0.37
REN P00797 1/20 0.34
HTR6 P50406 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
SCHEMBL3977977 0.90 SSTR5 (0.38) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3973812 0.88 SSTR5 (0.38) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3977983 0.85 SSTR5 (0.41) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3978586 0.84 PROKR1 (0.41) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3972620 0.84 TACR1 (0.38) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3979346 0.82 REN (0.43) SLC6A4SLC6A2SLC6A3KCNH2REN
SCHEMBL3968604 0.81 SSTR5 (0.40) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3925317 0.81 SLC6A4 (0.38) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL4701211 0.81 SLC6A4 (0.44) TACR1SLC6A4SLC6A2SSTR5SLC6A3
SCHEMBL3970195 0.80 SLC6A2 (0.37) TACR1SLC6A4SLC6A2SLC6A3KCNH2

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