SCHEMBL5382162

SCHEMBL5382162

C=CC[Si](CC=C)(CC=C)n1nnnc1-c1ccccc1-c1ccc(Cn2c(OCC)nc3cccc(C(=O)OC(C)OC(=O)OC4CCCCC4)c32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 4/20 0.70
AGTR2 P50052 3/20 0.70
CYP3A4 P08684 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
ADRA2B P18089 2/20 0.70
SLC6A2 P23975 2/20 0.70
AGTR1 P30556 2/20 0.70
PPARG P37231 2/20 0.70
HTR2B P41595 2/20 0.70
PDE3A Q14432 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
MLNR O43193 1/20 0.70
NR1I2 O75469 1/20 0.70
USP2 O75604 1/20 0.70
ESR1 P03372 1/20 0.70
NR3C1 P04150 1/20 0.70
TP53 P04637 1/20 0.70
PGR P06401 1/20 0.70
ADRB2 P07550 1/20 0.70

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
SCHEMBL30007325 0.89 NAE1 (0.75) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL14522914 0.89 NAE1 (0.75) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL6850571 0.88 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL15478919 0.88 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL6848863 0.86 NAE1 (0.71) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL2477228 0.86 AGTR2 (0.71) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL1639019 0.86 NAE1 (0.78) NAE1AGTR2CYP3A4ADORA3ADRA2B
Candesartan Cilexetil SCHEMBL40831 0.84 NAE1 (0.79) NAE1AGTR2CYP3A4ADORA3ADRA2B
Candesartan Cilexetil SCHEMBL16949997 0.84 NAE1 (0.79) NAE1AGTR2CYP3A4ADORA3ADRA2B
Candesartan Cilexetil SCHEMBL3968703 0.84 NAE1 (0.79) NAE1AGTR2CYP3A4ADORA3ADRA2B

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-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 EP claimed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO claimed
EP-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 EP disclosed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO disclosed