SCHEMBL8094934

SCHEMBL8094934

CCCCc1nc2c(=O)[nH]ccc2n1Cc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.53
PLK1 P53350 3/20 0.52
PLK3 Q9H4B4 3/20 0.52
AGTR1 P30556 5/20 0.50

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
SCHEMBL8081250 0.87 AGTR2 (0.72) AGTR2PLK1PLK3AGTR1
SCHEMBL8092218 0.86 AGTR2 (0.60) AGTR2AGTR1
SCHEMBL8088454 0.85 PLK1 (0.52) AGTR2PLK1PLK3AGTR1
SCHEMBL8089387 0.85 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL8089253 0.84 AGTR2 (0.75) AGTR2AGTR1
SCHEMBL8088541 0.78 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL8089303 0.77 AGTR2 (0.58) AGTR2PLK1PLK3AGTR1
SCHEMBL8089466 0.76 TLR7 (0.52) AGTR2AGTR1
SCHEMBL9125473 0.75 AGTR1 (0.71) AGTR2AGTR1
SCHEMBL9337724 0.75 PLK1 (0.62) PLK1PLK3AGTR1

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
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed
EP-0505893-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1992-09-30 EP disclosed