SCHEMBL3972591

SCHEMBL3972591

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
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
FLT4 P35916 2/20 0.36
PTK2 Q05397 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PDE4D Q08499 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34
TACR1 P25103 1/20 0.34
PDE4B Q07343 1/20 0.33
GAA P10253 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
SCHEMBL3977756 0.94 REN (0.41) RENSMN1; SMN2FLT4PTK2LMNA
SCHEMBL3972539 0.93 REN (0.44) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3979706 0.93 REN (0.44) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3972940 0.91 ALOX15 (0.40) RENFLT4PTK2KDM4ENPSR1
SCHEMBL3974580 0.86 REN (0.41) RENMEN1KMT2AFLT4PTK2
SCHEMBL3970028 0.85 ALDH1A1 (0.37) SMN1; SMN2LMNAKDM4ETACR1GAA
SCHEMBL3977946 0.85 MAPT (0.40) SMN1; SMN2KDM4ETACR1
SCHEMBL3978589 0.84 REN (0.46) RENMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3973810 0.83 SLC6A2 (0.40) RENNPSR1
SCHEMBL3973837 0.83 REN (0.40) RENFLT4PTK2KDM4ENPSR1

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