SCHEMBL3974580

SCHEMBL3974580

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.37
TACR1 P25103 2/20 0.37
FLT4 P35916 1/20 0.36
PTK2 Q05397 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN1 P18031 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
SCHEMBL3972539 0.94 REN (0.44) RENTACR1FLT4PTK2SLC6A2
SCHEMBL3977756 0.93 REN (0.41) RENL3MBTL1HTR2ATACR1FLT4
SCHEMBL3973810 0.92 SLC6A2 (0.40) RENHTR2ASLC6A2SLC6A4NPSR1
SCHEMBL3968591 0.91 GAA (0.38) HTR2ATACR1RXRARXRBRXRG
SCHEMBL3979706 0.87 REN (0.44) RENTACR1FLT4PTK2SLC6A2
SCHEMBL3972591 0.86 REN (0.43) RENTACR1FLT4PTK2MEN1
SCHEMBL3973856 0.85 L3MBTL1 (0.47) RENL3MBTL1RXRAMEN1KMT2A
SCHEMBL3973837 0.85 REN (0.40) RENHTR2AFLT4PTK2SLC6A2
SCHEMBL3972940 0.85 ALOX15 (0.40) RENHTR2AFLT4PTK2SLC6A2
SCHEMBL3972620 0.84 TACR1 (0.38) TACR1FLT4PTK2SLC6A2SLC6A4

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