SCHEMBL8563144

SCHEMBL8563144

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

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.70
PPARG P37231 2/20 0.70
ABCB11 O95342 1/20 0.70
EGFR P00533 1/20 0.70
ERBB2 P04626 1/20 0.70
CYP3A4 P08684 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CYP2C9 P11712 1/20 0.70
ADRB3 P13945 1/20 0.70
ADRA2B P18089 1/20 0.70
SLC6A2 P23975 1/20 0.70
TBXAS1 P24557 1/20 0.70
HTR2C P28335 1/20 0.70
HTR2B P41595 1/20 0.70
AGTR2 P50052 1/20 0.70
PDE3A Q14432 1/20 0.70
LTB4R2 Q9NPC1 1/20 0.70

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
SCHEMBL3975959 0.94 AGTR1 (0.75) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL31364599 0.90 PPARG (0.70) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL29257718 0.90 PPARG (0.70) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL19380341 0.89 AGTR1 (0.71) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL28927794 0.88 AGTR1 (0.70) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL13974155 0.87 AGTR1 (0.66) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL15550328 0.87 AGTR1 (0.66) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL12096488 0.87 AGTR1 (0.69) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL21167877 0.87 AGTR1 (0.69) AGTR1PPARGABCB11EGFRERBB2
SCHEMBL15551208 0.87 AGTR1 (0.66) AGTR1PPARGABCB11EGFRERBB2

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