SCHEMBL1653408

SCHEMBL1653408

CCOc1nc2c(C)ccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
TBXAS1 P24557 1/20 0.55
HTR2C P28335 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
AGTR2 P50052 1/20 0.55
PDE3A Q14432 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55

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
SCHEMBL463332 0.93 AGTR1 (0.49) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL4795872 0.92 AGTR1 (0.55) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL5951230 0.90 AGTR1 (0.53) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL5347745 0.87 AGTR1 (0.51) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL29682351 0.86 AGTR1 (0.73) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL19357208 0.86 AGTR1 (0.73) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL29508236 0.86 AGTR1 (0.73) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL3938 0.86 AGTR1 (0.73) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL8421698 0.86 AGTR1 (0.41) AGTR1ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL5507160 0.86 AGTR1 (0.72) AGTR1ABCB11EGFRERBB2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035360-A2 NOVEL CRYSTALLINE FORMS OF CANDESARTAN CILEXETIL, CANDESARTAN, TRITYLATED CANDESARTAN AND TRITYLATED CANDESARTAN CILEXETIL ALEMBIC LIMITED (IN) 2008-03-27 WO claimed
EP-2303870-A2 PROCESS FOR PREPARATION OF CANDESARTAN CILEXETIL Hetero Research Foundation (IN) 2011-04-06 EP disclosed
WO-2009157001-A2 PROCESS FOR PREPARATION OF CANDESARTAN CILEXETIL HETERO RESEARCH FOUNDATION (IN) 2009-12-30 WO disclosed
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