SCHEMBL8565334

SCHEMBL8565334

CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2I)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.73
AGTR2 P50052 3/20 0.73
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
PDE3B Q13370 1/20 0.67
PDE3A Q14432 1/20 0.67

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
SCHEMBL9209866 0.89 AGTR1 (0.66) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL293 0.87 AGTR1 (0.73) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL24360483 0.85 AGTR1 (0.70) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL11100306 0.85 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL29486822 0.84 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL89 0.84 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL541 0.84 AGTR1 (0.69) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL8565506 0.84 AGTR2 (0.69) AGTR1AGTR2
SCHEMBL4293944 0.83 AGTR2 (0.71) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9468476 0.83 AGTR1 (0.98) 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 3 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 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