SCHEMBL4544203

SCHEMBL4544203

CCOc1cc(CN(c2ccc(CC)cc2)C2CCNCC2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.45
SLC6A4 P31645 12/20 0.45
SLC6A3 Q01959 11/20 0.45
REN P00797 3/20 0.44
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3973450 0.89 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3REN
SCHEMBL3973371 0.88 L3MBTL1 (0.53) SLC6A2SLC6A4SLC6A3RENKMT2A
SCHEMBL3971352 0.85 REN (0.41) SLC6A2SLC6A4SLC6A3RENKMT2A
SCHEMBL3998910 0.81 REN (0.43) SLC6A2SLC6A4SLC6A3RENKMT2A
SCHEMBL3974409 0.79 GAA (0.53) KMT2ANPSR1MEN1MAPTKDM4E
SCHEMBL3931492 0.78 REN (0.41) SLC6A2SLC6A4SLC6A3RENMAPT
SCHEMBL3973911 0.78 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3REN
SCHEMBL4551382 0.78 KDM4E (0.42) SLC6A2SLC6A4SLC6A3RENNPSR1
SCHEMBL3973369 0.78 REN (0.43) SLC6A2SLC6A4SLC6A3RENNPSR1
SCHEMBL4551389 0.78 MC4R (0.46) SLC6A2SLC6A4SLC6A3RENKMT2A

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 2 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 disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed