SCHEMBL5012018

SCHEMBL5012018

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.42
CYP3A4 P08684 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADRA2B P18089 2/20 0.42
SLC6A2 P23975 2/20 0.42
AGTR1 P30556 2/20 0.42
PPARG P37231 2/20 0.42
HTR2B P41595 2/20 0.42
PDE3A Q14432 2/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRB3 P13945 1/20 0.42
TBXAS1 P24557 1/20 0.42
HTR2C P28335 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL4729358 0.86 ABCB11 (0.47) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL1653406 0.77 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683298 0.77 AGTR2 (0.62) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL9193450 0.76 AGTR2 (0.51) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL14544772 0.75 AGTR2 (0.60) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL9194756 0.75 AGTR2 (0.52) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL682490 0.75 AGTR2 (0.54) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL9194556 0.75 AGTR2 (0.52) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL3974380 0.75 AGTR2 (0.50) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL683301 0.75 AGTR2 (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378108-B1 Percutaneous absorption preparation of compound having angiotensin II antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-27 US disclosed
EP-1306089-B1 Combination of benzimidazoles having angiotensin-II antagonistic activity with diuretics TAKEDA PHARMACEUTICAL (JP) 2007-09-05 EP disclosed
US-6348481-B2 COMPOUND SUCH AS 1-(CYCLOHEXYLOXYCARBONYLOXY)ETHYL 2-ETHOXY-1-((2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL)METHYL)-1H-BENZIMIDAZOLE-7 -CARBOXYLATE, WITH A COMPOUND HAVING DIURETIC ACTIVITY OR A COMPOUND HAVING CALCIUM ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-19 US disclosed
US-6319938-B1 PROPHYLAXIS OR TREATMENT OF DIABETIC NEPHROPHATHY OR GLOMERULOMONEPHRITIS BY ADMINISTERING BIPHENYL-SUBSTITUTED 2-SUBSTITUTED BENZIMIDAZOLE-4-CARBOXYLIC ACID OR ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed