SCHEMBL16239

SCHEMBL16239

FCC1(CF)CCC(COc2ccc(Cc3cc(Br)ccc3F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CCR5 P51681 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL18171 0.76 SLC5A2 (0.60) SLC5A1SLC5A2
SCHEMBL17962 0.74 SLC5A2 (0.39) SLC5A1SLC5A2
SCHEMBL17916 0.73 SLC5A2 (0.52) CCR5SLC5A1SLC5A2
SCHEMBL18062 0.72 CCR5 (0.39) CCR5SLC5A1SLC5A2SCN9A
SCHEMBL18722 0.70 CCR5 (0.37) CCR5SLC5A1SLC5A2SCN9A
SCHEMBL16238 0.70 ACACB (0.36) CCR5SLC5A1SLC5A2SCN9A
SCHEMBL181059 0.70 L3MBTL1 (0.45)
SCHEMBL181201 0.68 CACNA1G (0.39) CCR5SLC5A1SLC5A2
SCHEMBL27669068 0.67 PYCR1 (0.37) CCR5SLC5A1SLC5A2
SCHEMBL181117 0.67 SLC5A2 (0.45) CCR5SLC5A1SLC5A2

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 1 patent. 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