SCHEMBL3972925

SCHEMBL3972925

CCOc1cc(CN(c2ccc(C(N)=O)cn2)C2CCNCC2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
REN P00797 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MBTPS1 Q14703 3/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
FLT4 P35916 1/20 0.37
PTK2 Q05397 1/20 0.37
MEN1 O00255 2/20 0.36

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
SCHEMBL3977361 0.93 REN (0.47) MAPK1RENSMN1; SMN2NPSR1SLC6A2
SCHEMBL3973856 0.93 L3MBTL1 (0.47) RENL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3973369 0.92 REN (0.43) MAPK1RENL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3978538 0.91 REN (0.43) RENNPSR1SLC6A2SLC6A4FLT4
SCHEMBL3974286 0.91 REN (0.43) RENL3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3977612 0.91 SLC6A2 (0.37) MAPK1RENALDH1A1SLC6A2SLC6A4
SCHEMBL3971901 0.91 SSTR5 (0.43) MAPK1RENMBTPS1SLC6A2SLC6A4
SCHEMBL3973812 0.90 SSTR5 (0.38) MBTPS1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3972873 0.90 SLC6A9 (0.37) MAPK1RENSLC6A2SLC6A4SLC6A3
SCHEMBL3971524 0.89 MAPK1 (0.36) MAPK1RENSLC6A2SLC6A4SLC6A3

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