SCHEMBL8559040

SCHEMBL8559040

CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2C(=O)C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.76
CYP3A4 P08684 3/20 0.51
AGTR1 P30556 3/20 0.51
PDE3A Q14432 3/20 0.51
ABCB11 O95342 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADRA2B P18089 2/20 0.51
SLC6A2 P23975 2/20 0.51
PPARG P37231 2/20 0.51
HTR2B P41595 2/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRB3 P13945 1/20 0.51
TBXAS1 P24557 1/20 0.51
HTR2C P28335 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
PDE4D Q08499 2/20 0.44
SLCO1B3 Q9NPD5 2/20 0.44
SLCO1B1 Q9Y6L6 2/20 0.44

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
SCHEMBL8566614 0.91 AGTR2 (0.63) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15702899 0.90 AGTR2 (0.74) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15156867 0.89 AGTR2 (0.73) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15171199 0.89 AGTR2 (0.73) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15156864 0.89 AGTR2 (0.73) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15644523 0.88 AGTR2 (0.78) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15551977 0.87 AGTR2 (0.71) AGTR2CYP3A4AGTR1PDE3AABCB11
SCHEMBL15157278 0.87 AGTR2 (0.71) AGTR2CYP3A4AGTR1PDE3AABCB11
Azilsartan Medoxomil SCHEMBL2129551 0.87 AGTR2 (0.81) AGTR2CYP3A4AGTR1PDE3AABCB11
Azilsartan Medoxomil SCHEMBL29861385 0.86 AGTR2 (1.00) AGTR2CYP3A4AGTR1PDE3AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603001-B1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1998-08-26 EP claimed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US claimed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP claimed
EP-0603001-B1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1998-08-26 EP disclosed
US-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed
EP-0603001-A1 Biphenyl derivatives, their preparation and their use for the treatment of hypertension and cardiac disease SANKYO COMPANY LIMITED (JP) 1994-06-22 EP disclosed