SCHEMBL8559577

SCHEMBL8559577

COC(=O)C(=O)c1ccccc1-c1ccc(Cn2c(CN(C)C(=O)OC(C)(C)C)nc(C(C)(C)O)c2C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
AGTR2 P50052 3/20 0.41
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39

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
SCHEMBL8560871 0.94 AGTR1 (0.41) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8558488 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL7886496 0.81 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8562435 0.80 AGTR1 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8561080 0.80 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7313176 0.79
SCHEMBL8563803 0.78 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8560944 0.77 AGTR1 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7883494 0.77
Hydrochloric Acid SCHEMBL7878363 0.76

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-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