SCHEMBL3973812

SCHEMBL3973812

CCOc1cc(CN(c2ccc(C(N)=O)cn2)C2CCNCC2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.38
SSTR1 P30872 1/20 0.38
HRH1 P35367 1/20 0.38
TACR1 P25103 5/20 0.38
MBTPS1 Q14703 2/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 3/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3977983 0.92 SSTR5 (0.41) SSTR5SSTR1HRH1TACR1MBTPS1
SCHEMBL3977954 0.91 TACR1 (0.37) SSTR5SSTR1TACR1MBTPS1SLC6A4
SCHEMBL3968604 0.90 SSTR5 (0.40) SSTR5SSTR1HRH1TACR1MBTPS1
SCHEMBL3972925 0.90 MAPK1 (0.44) MBTPS1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3977612 0.90 SLC6A2 (0.37) SSTR5TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL3971901 0.90 SSTR5 (0.43) SSTR5TACR1MBTPS1SLC6A4SLC6A2
SCHEMBL3972873 0.89 SLC6A9 (0.37) SSTR5TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL3971524 0.88 MAPK1 (0.36) SSTR5TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4222744 0.88 TACR1 (0.38) SSTR5SSTR1HRH1TACR1SLC6A4
SCHEMBL3978586 0.88 PROKR1 (0.41) SSTR5SSTR1HRH1TACR1MBTPS1

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