SCHEMBL8561980

SCHEMBL8561980

CCCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2c(OC(C)C)c(=O)c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.51
AGTR1 P30556 2/20 0.51
EDNRA P25101 1/20 0.49

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
SCHEMBL9206508 0.92 AGTR2 (0.47) AGTR2AGTR1
SCHEMBL8843640 0.92 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL8562299 0.88 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL8563602 0.87 AGTR1 (0.62) AGTR2AGTR1
SCHEMBL8843798 0.84 GP6 (0.61) AGTR2AGTR1
SCHEMBL8564634 0.81 AGTR2 (0.57) AGTR2AGTR1EDNRA
SCHEMBL363 0.80 AGTR1 (0.73) AGTR2AGTR1
SCHEMBL8564639 0.78 AGTR2 (0.67) AGTR2AGTR1
SCHEMBL12112109 0.78 AGTR2 (0.60) AGTR2AGTR1
SCHEMBL8562279 0.76 AGTR1 (0.42) AGTR2AGTR1

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