SCHEMBL18722

SCHEMBL18722

Fc1ccc(Br)cc1Cc1ccc(OCC2(C(F)(F)F)CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.37
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
HTR2C P28335 4/20 0.34
SLC6A4 P31645 4/20 0.34
SCN9A Q15858 7/20 0.33
USP28 Q96RU2 1/20 0.32
USP25 Q9UHP3 1/20 0.32
LTA4H P09960 1/20 0.30

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
SCHEMBL18062 0.95 CCR5 (0.39) CCR5SLC5A1SLC5A2HTR2CSLC6A4
SCHEMBL18178 0.87 SLC5A2 (0.39) CCR5SLC5A1SLC5A2SCN9A
SCHEMBL17483 0.82 SLC5A2 (0.40) CCR5SLC5A1SLC5A2
SCHEMBL16238 0.77 ACACB (0.36) CCR5SLC5A1SLC5A2HTR2CSLC6A4
SCHEMBL16481264 0.75 DRD1 (0.37) LTA4H
SCHEMBL17541 0.75 SLC5A2 (0.59) SLC5A1SLC5A2
SCHEMBL17916 0.74 SLC5A2 (0.52) CCR5SLC5A1SLC5A2
SCHEMBL25568 0.73 SLC5A2 (0.40) SLC5A1SLC5A2
SCHEMBL181059 0.71 L3MBTL1 (0.45) LTA4H
SCHEMBL16239 0.70 PARP15 (0.35) CCR5SLC5A1SLC5A2SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed
WO-2012025857-A1 CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2012-03-01 WO disclosed