SCHEMBL6169319

SCHEMBL6169319

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.49
AGTR1 P30556 2/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2B P18089 1/20 0.49
SLC6A2 P23975 1/20 0.49
TBXAS1 P24557 1/20 0.49
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PDE3A Q14432 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49

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
SCHEMBL4795872 0.90 AGTR1 (0.55) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL9035041 0.90 AGTR1 (0.49) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL8844124 0.87 AGTR1 (0.41) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL5347745 0.86 AGTR1 (0.51) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL1653408 0.85 AGTR1 (0.55) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL8560247 0.85 AGTR1 (0.48) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL5951230 0.83 AGTR1 (0.53) AGTR2AGTR1ABCB11EGFRERBB2
SCHEMBL8635506 0.81 AGTR2 (0.32) AGTR2AGTR1ABCB11EGFRERBB2
Candesartan SCHEMBL29508236 0.81 AGTR1 (0.73) AGTR2AGTR1ABCB11EGFRERBB2
Candesartan SCHEMBL3938 0.81 AGTR1 (0.73) AGTR2AGTR1ABCB11EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612523-B1 Vascular hypertrophy suppressor TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-06-12 EP claimed
EP-0612524-B1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-26 EP claimed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed