SCHEMBL3972940

SCHEMBL3972940

COC(=O)c1cnc(N(Cc2ccc(OC)c(OCC(C)C)c2)C2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
REN P00797 3/20 0.40
HTR2A P28223 3/20 0.39
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FLT4 P35916 1/20 0.36
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL3973837 0.93 REN (0.40) ALOX15RENHTR2ASLC6A2SLC6A4
SCHEMBL3973810 0.93 SLC6A2 (0.40) ALOX15RENHTR2ASLC6A2SLC6A4
SCHEMBL3977756 0.92 REN (0.41) RENHTR2AFLT4PTK2KDM4E
SCHEMBL3972591 0.91 REN (0.43) RENNPSR1FLT4PTK2KDM4E
SCHEMBL3974580 0.85 REN (0.41) RENHTR2ASLC6A2SLC6A4NPSR1
SCHEMBL3969424 0.84 ALOX15 (0.43) ALOX15RENHTR2ASLC6A2SLC6A4
SCHEMBL3970028 0.84 ALDH1A1 (0.37) HTR2ASLC6A2SLC6A4KDM4EGAA
SCHEMBL3972539 0.83 REN (0.44) RENSLC6A2SLC6A4FLT4PTK2
SCHEMBL3979706 0.83 REN (0.44) RENSLC6A2SLC6A4FLT4PTK2
SCHEMBL3977946 0.83 MAPT (0.40) SLC6A2SLC6A4KDM4EMAPT

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