SCHEMBL3973810

SCHEMBL3973810

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 10/20 0.40
REN P00797 3/20 0.40
ALOX15 P16050 1/20 0.39
HTR2A P28223 2/20 0.37
SLC6A3 Q01959 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
XDH P47989 1/20 0.36

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
SCHEMBL3973837 0.94 REN (0.40) SLC6A2SLC6A4RENALOX15HTR2A
SCHEMBL3972940 0.93 ALOX15 (0.40) SLC6A2SLC6A4RENALOX15HTR2A
SCHEMBL3974580 0.92 REN (0.41) SLC6A2SLC6A4RENHTR2ANPSR1
SCHEMBL3972539 0.90 REN (0.44) SLC6A2SLC6A4REN
SCHEMBL3977756 0.85 REN (0.41) RENHTR2A
SCHEMBL3979706 0.84 REN (0.44) SLC6A2SLC6A4RENSLC6A3
SCHEMBL3972591 0.83 REN (0.43) RENNPSR1
SCHEMBL3968591 0.83 GAA (0.38) SLC6A2SLC6A4HTR2ASLC6A3
SCHEMBL3978538 0.82 REN (0.43) SLC6A2SLC6A4RENALOX15HTR2A
SCHEMBL4702309 0.81 REN (0.44) SLC6A2SLC6A4RENALOX15HTR2A

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