SCHEMBL3977756

SCHEMBL3977756

CCOc1cc(CN(c2cc(C(F)(F)F)c(C(=O)OC)cn2)C2CCNCC2)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FLT4 P35916 2/20 0.37
PTK2 Q05397 2/20 0.37
HTR2A P28223 2/20 0.37
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 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
SCHEMBL3972591 0.94 REN (0.43) RENSMN1; SMN2FLT4PTK2TACR1
SCHEMBL3974580 0.93 REN (0.41) RENALDH1A1FLT4PTK2HTR2A
SCHEMBL3972940 0.92 ALOX15 (0.40) RENFLT4PTK2HTR2AKDM4E
SCHEMBL3970028 0.92 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2HTR2ATACR1
SCHEMBL3977946 0.91 MAPT (0.40) ALDH1A1HTTSMN1; SMN2TACR1KDM4E
SCHEMBL3979706 0.86 REN (0.44) RENSMN1; SMN2FLT4PTK2TACR1
SCHEMBL3972539 0.86 REN (0.44) RENSMN1; SMN2FLT4PTK2TACR1
SCHEMBL3973369 0.85 REN (0.43) RENALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3973810 0.85 SLC6A2 (0.40) RENHTR2A
SCHEMBL3973837 0.85 REN (0.40) RENFLT4PTK2HTR2AKDM4E

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