SCHEMBL7510644

SCHEMBL7510644

CCCCc1nn2cccc(C(=O)O)c2c1Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.43
AGTR2 P50052 2/20 0.43
PPARG P37231 2/20 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
SCHEMBL7510594 0.82 AKR1C3 (0.42) AGTR1AGTR2
SCHEMBL8879073 0.78 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7521287 0.76 MMP3 (0.40) AGTR1AGTR2PPARG
SCHEMBL7508623 0.75 RARB (0.40) AGTR1AGTR2
SCHEMBL7510620 0.74 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL8878903 0.69 AR (0.38)
SCHEMBL8878511 0.68 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8879468 0.68 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9157099 0.67 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8889182 0.67 MAPK14 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556080-B1 Bicyclic pyridine derivatives, process for their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2002-05-08 EP disclosed
US-5691347-A ANGIOTENSIN II INHIBITORS AND VASOCONSTRICTION ROUSSEL UCLAF (FR) 1997-11-25 US disclosed
US-5650414-A PYRAZOLOPYRIDINES OR IMIDAZOLOPYRIDINES ROUSSEL UCLAF (FR) 1997-07-22 US disclosed
US-5420138-A Antivasoconstriction compounds and cardiovascular disorders ROUSSEL-UCLAF (FR) 1995-05-30 US disclosed
EP-0556080-A1 Bicyclic pyridine derivatives, process for their preparation, intermediates, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-08-18 EP disclosed