SCHEMBL8563064

SCHEMBL8563064

CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2c(O)c(=O)c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.63
AGTR2 P50052 3/20 0.63

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
SCHEMBL8561087 0.93 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL8563050 0.89 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL8565102 0.87 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8661598 0.86 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL8560455 0.85 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8563335 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9208425 0.84 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL683347 0.83 AGTR1 (0.67) AGTR1AGTR2
Hydrochloric Acid SCHEMBL8563740 0.83 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8559031 0.82 AGTR1 (0.65) AGTR1AGTR2

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