SCHEMBL27368089

SCHEMBL27368089

Clc1ccc(Br)cc1Cc1ccc(OCCCCOc2ccc(Cc3cc(Br)ccc3Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SLC5A2 P31639 12/20 0.43
DRD4 P21917 1/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 2/20 0.42
SLC5A1 P13866 6/20 0.40
CCR5 P51681 1/20 0.38

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
SCHEMBL38651021 1.00 L3MBTL1 (0.44) L3MBTL1SLC5A2DRD4HTR2ASLC6A4
SCHEMBL16608734 0.93 PKM (0.46) L3MBTL1SLC5A2HTR2ASLC6A4KCNH2
SCHEMBL499821 0.90 SLC5A2 (0.54) SLC5A2SLC5A1
SCHEMBL3684101 0.87 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL38150 0.86 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL29386304 0.86 SLC5A2 (0.53) SLC5A2SLC5A1
SCHEMBL10211827 0.86 SLC5A2 (0.44) L3MBTL1SLC5A2SLC5A1
SCHEMBL14938792 0.85 SLC5A2 (0.52) SLC5A2SLC5A1
SCHEMBL31086477 0.84 SLC5A2 (0.57) SLC5A2SLC5A1CCR5
SCHEMBL499441 0.84 SLC5A2 (0.57) SLC5A2SLC5A1CCR5

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-2024060271-A1 CHARACTERISTIC IMPURITY IN EMPAGLIFLOZIN BULK DRUG OR PREPARATION AND USE THEREOF 浙江宏元药业股份有限公司 2024-03-28 WO disclosed