SCHEMBL17831

SCHEMBL17831

CC1(COc2ccc(Cc3cc(Br)ccc3Cl)cc2)CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 17/20 0.43
SLC5A1 P13866 8/20 0.43
ACACB O00763 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 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
SCHEMBL18040 0.90 SLC5A2 (0.45) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL18072 0.88 HPGD (0.46) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL16238 0.87 ACACB (0.36) SLC5A2SLC5A1ACACBHTR2ASLC6A4
SCHEMBL17483 0.79 SLC5A2 (0.40) SLC5A2SLC5A1
SCHEMBL17334 0.78 SLC5A2 (0.38) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL23912 0.78 SLC5A2 (0.38) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL17356 0.77 SLC5A2 (0.38) SLC5A2SLC5A1
SCHEMBL18178 0.77 SLC5A2 (0.39) SLC5A2SLC5A1
SCHEMBL29386304 0.76 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL38150 0.76 SLC5A2 (0.53) SLC5A2SLC5A1

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