SCHEMBL8564200

SCHEMBL8564200

CCCc1nc(CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2c(OC(C)C)c(=O)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.49
AGTR1 P30556 4/20 0.47
GP6 Q9HCN6 1/20 0.45

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
SCHEMBL8843798 0.85 GP6 (0.61) AGTR2AGTR1GP6
SCHEMBL8568468 0.85 AGTR2 (0.52) AGTR2AGTR1GP6
SCHEMBL8567422 0.78 AGTR1 (0.60) AGTR2AGTR1
SCHEMBL8563602 0.76 AGTR1 (0.62) AGTR2AGTR1
SCHEMBL9198036 0.75 AGTR2 (0.58) AGTR2AGTR1GP6
SCHEMBL8843640 0.75 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL8561980 0.73 AGTR2 (0.51) AGTR2AGTR1
SCHEMBL8560455 0.72 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL8569136 0.72 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9003778 0.71 AGTR2 (0.45) AGTR2AGTR1GP6

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
WO-1994001436-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1994-01-20 WO claimed
EP-0649424-B1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS KNOLL AG (DE) 1998-10-07 EP disclosed
US-5627191-A Therapeutic agents THE BOOTS COMPANY PLC (GB) 1997-05-06 US disclosed
EP-0649424-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS Knoll AG (DE) 1995-04-26 EP disclosed
WO-1994001436-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1994-01-20 WO disclosed