SCHEMBL4729358

SCHEMBL4729358

O=C(O)c1cccc2ncn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2B P18089 1/20 0.47
SLC6A2 P23975 1/20 0.47
TBXAS1 P24557 1/20 0.47
HTR2C P28335 1/20 0.47
AGTR1 P30556 1/20 0.47
PPARG P37231 1/20 0.47
HTR2B P41595 1/20 0.47
AGTR2 P50052 1/20 0.47
PDE3A Q14432 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL5012018 0.86 AGTR2 (0.42) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL9199697 0.81
SCHEMBL15525727 0.81 AGTR2 (0.50) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL8328346 0.81 CHRM1 (0.55)
SCHEMBL9197386 0.81 ABCB11 (0.56) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL4793837 0.81 CYP11B1 (0.58) AGTR1AGTR2
SCHEMBL9192715 0.80 CYP11B1 (0.59)
Candesartan SCHEMBL3938 0.80 AGTR1 (0.73) ABCB11EGFRERBB2CYP3A4ADORA3
Candesartan SCHEMBL19357208 0.80 AGTR1 (0.73) ABCB11EGFRERBB2CYP3A4ADORA3
Candesartan SCHEMBL29508236 0.80 AGTR1 (0.73) ABCB11EGFRERBB2CYP3A4ADORA3

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
US-6608210-B2 Such as 1-(cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-((2'-(1H-tetrazol-t-yl)biphenyl-4-yl)methyl) benzimidazol-7-carboxylate; exhibits antihypertensive activity and strong angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-19 US disclosed
US-6432996-B1 ADMINISTERING BENZIMIDAZOLE DERIVATIVE ANGIOTENSIN II ANTAGONIST, INDANE DERIVATIVE ANGIOTENSIN CONVERTING ENZYME INHIBITOR, AND PYRIDINE DERIVATIVE HMG-CO A REDUCTASE INHIBITOR TO TREAT PROSTPRANDIAL HYPERGLYCEMIA IN DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed
US-6420405-B2 MIXTURE WITH DIURETIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
US-6228874-B1 1-(BIPHENYL-4-YL)METHYL-1H-BENZIMIDAZOLE-7-CARBOXYLATE DERIVATIVE MIXTURE WITH FUROSEMIDE; SIDE EFFECT REDUCTION; DIURETICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-08 US disclosed