SCHEMBL2196805

SCHEMBL2196805

CCOc1nc2cccc(C(=O)OCCO)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.59
CYP3A4 P08684 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
ADRA2B P18089 2/20 0.59
SLC6A2 P23975 2/20 0.59
AGTR1 P30556 2/20 0.59
PPARG P37231 2/20 0.59
HTR2B P41595 2/20 0.59
PDE3A Q14432 2/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
CYP2C9 P11712 1/20 0.59
ADRB3 P13945 1/20 0.59
TBXAS1 P24557 1/20 0.59
HTR2C P28335 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.59
NAE1 Q13564 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL683298 0.94 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL1653406 0.91 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683999 0.91 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL684004 0.91 AGTR2 (0.58) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683301 0.91 AGTR2 (0.55) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL5332529 0.90 AGTR2 (0.57) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683294 0.90 AGTR2 (0.61) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL14544772 0.90 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL19357208 0.89 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL29682351 0.89 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2

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-2011080684-A9 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL RANBAXY LABORATORIES LIMITED (IN) 2011-10-20 WO disclosed
WO-2011080684-A1 PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed