SCHEMBL3973837

SCHEMBL3973837

COc1ccc(CN(c2cc(C(F)(F)F)c(C(N)=O)cn2)C2CCNCC2)cc1OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 8/20 0.38
FLT4 P35916 1/20 0.38
PTK2 Q05397 1/20 0.38
HTR2A P28223 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL3973810 0.94 SLC6A2 (0.40) RENALOX15SLC6A2SLC6A4HTR2A
SCHEMBL3972940 0.93 ALOX15 (0.40) RENALOX15SLC6A2SLC6A4FLT4
SCHEMBL3979706 0.90 REN (0.44) RENSLC6A2SLC6A4FLT4PTK2
SCHEMBL3978538 0.86 REN (0.43) RENALOX15SLC6A2SLC6A4FLT4
SCHEMBL3974580 0.85 REN (0.41) RENSLC6A2SLC6A4FLT4PTK2
SCHEMBL3977756 0.85 REN (0.41) RENFLT4PTK2HTR2AKDM4E
SCHEMBL3972539 0.84 REN (0.44) RENSLC6A2SLC6A4FLT4PTK2
SCHEMBL3972591 0.83 REN (0.43) RENFLT4PTK2NPSR1KDM4E
SCHEMBL3972620 0.83 TACR1 (0.38) SLC6A2SLC6A4FLT4PTK2
SCHEMBL3971706 0.81 SLC6A2 (0.35) SLC6A2SLC6A4FLT4PTK2HTR2A

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