SCHEMBL3972539

SCHEMBL3972539

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
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
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FLT4 P35916 1/20 0.35
PTK2 Q05397 1/20 0.35
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.34
TACR1 P25103 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL3979706 0.94 REN (0.44) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3974580 0.94 REN (0.41) RENMEN1KMT2AFLT4PTK2
SCHEMBL3972591 0.93 REN (0.43) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3973810 0.90 SLC6A2 (0.40) RENSLC6A2SLC6A4
SCHEMBL3977756 0.86 REN (0.41) RENSMN1; SMN2FLT4PTK2LMNA
SCHEMBL3968591 0.84 GAA (0.38) SLC6A2SLC6A4LMNATACR1
SCHEMBL3973837 0.84 REN (0.40) RENFLT4PTK2SLC6A2SLC6A4
SCHEMBL3972940 0.83 ALOX15 (0.40) RENFLT4PTK2SLC6A2SLC6A4
SCHEMBL3977361 0.82 REN (0.47) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3978589 0.80 REN (0.46) RENMEN1HPGDKMT2ASMN1; SMN2

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