SCHEMBL3979706

SCHEMBL3979706

CCCOc1cc(CN(c2cc(C(F)(F)F)c(C(N)=O)cn2)C2CCNCC2)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
FLT4 P35916 3/20 0.38
PTK2 Q05397 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR52 Q9Y2T5 1/20 0.36
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
LMNA P02545 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TACR1 P25103 1/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3972539 0.94 REN (0.44) RENFLT4PTK2MEN1HPGD
SCHEMBL3972591 0.93 REN (0.43) RENFLT4PTK2MEN1HPGD
SCHEMBL3973837 0.90 REN (0.40) RENFLT4PTK2GPR52GAA
SCHEMBL3974580 0.87 REN (0.41) RENFLT4PTK2MEN1KMT2A
SCHEMBL3977756 0.86 REN (0.41) RENFLT4PTK2SMN1; SMN2LMNA
SCHEMBL3977361 0.86 REN (0.47) RENFLT4PTK2MEN1HPGD
SCHEMBL3972620 0.85 TACR1 (0.38) FLT4PTK2TACR1SLC6A2SLC6A4
SCHEMBL3973810 0.84 SLC6A2 (0.40) RENSLC6A2SLC6A4SLC6A3
SCHEMBL3972940 0.83 ALOX15 (0.40) RENFLT4PTK2GAASLC6A2
SCHEMBL3971706 0.82 SLC6A2 (0.35) FLT4PTK2TACR1SLC6A2SLC6A4

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