SCHEMBL4599196

SCHEMBL4599196

CC(C)[Si](C#CC(c1ccccc1)c1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.56
CACNB2 Q08289 1/20 0.56
CACNA1C Q13936 1/20 0.56
MIF P14174 2/20 0.35
KCNH2 Q12809 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 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
SCHEMBL28686702 0.78 CACNA2D1 (0.38) CACNA2D1CACNB2CACNA1CMIFKCNH2
SCHEMBL8975316 0.70 KCNH2 (0.40) MIFKCNH2TAAR1ALDH1A1LMNA
SCHEMBL31387703 0.70 APP (0.48) CACNA2D1CACNB2CACNA1CKCNH2ALDH1A1
SCHEMBL3958189 0.67 CACNA2D1 (0.43) CACNA2D1CACNB2CACNA1C
SCHEMBL1110900 0.66 TSHR (0.41) KCNH2CYP2D6LMNA
SCHEMBL10728954 0.66 DPP4 (0.38) MIFKCNH2TAAR1CYP2D6RAB9A
SCHEMBL7737279 0.66 DPP4 (0.38) MIFKCNH2TAAR1CYP2D6
SCHEMBL908216 0.66 TAAR1 (0.50) MIFTAAR1ALDH1A1ADRA2AADRA2C
SCHEMBL28999979 0.65 CACNA2D1 (0.42) CACNA2D1CACNB2CACNA1CALDH1A1LMNA
SCHEMBL2844548 0.64 TAAR1 (0.44) MIFTAAR1ALDH1A1ADRA2AADRA2C

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-1910390-A2 GLUCOPYRANOSYL-SUBSTITUTED ((HETERO)CYCLOALYKLETHYNYL-BENZYL)-BENZENE DERIVATIVES AND USE THEREOF AS SODIUM-DEPENDENT GLUCOSE COTRANSPORTER (SGLT) INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
EP-1856082-A1 GLUCOPYRANOSYL-SUBSTITUTED ((HETERO)ARYLETHYNYL-BENZYL)-BENZENE DERIVATIVES AND USE THEREOF AS SODIUM-DEPENDENT GLUCOSE COTRANSPORTER 2 (SGLT2) INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-11-21 EP disclosed
WO-2007014894-A2 GLUCOPYRANOSYL-SUBSTITUTED ( (HETERO) CYCLOALYKLETHYNYL-BENZYL) -BENZENE DERIVATIVES AND USE THEREOF AS SODIUM-DEPENDENT GLUCOSE COTRANSPORTER (SGLT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2006089872-A1 GLUCOPYRANOSYL-SUBSTITUTED ( (HETERO)ARYLETHYNYL-BENZYD-BENZENE DERIVATIVES AND USE THEREOF AS SODIUM-DEPENDENT GLUCOSE COTRANSPORTER 2 (SGLT2) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 WO disclosed