SCHEMBL8055281

SCHEMBL8055281

CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)nc3)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 1.00

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
SCHEMBL8055239 0.85 EDNRA (1.00) EDNRA
SCHEMBL8058098 0.83 EDNRA (1.00) EDNRA
SCHEMBL8042510 0.82 EDNRA (1.00) EDNRA
SCHEMBL8394170 0.81 EDNRA (0.67) EDNRA
SCHEMBL8060512 0.80 EDNRA (1.00) EDNRA
SCHEMBL8055525 0.79 EDNRA (1.00) EDNRA
SCHEMBL13889011 0.79 EDNRA (0.65) EDNRA
SCHEMBL9137231 0.79 EDNRA (0.77) EDNRA
SCHEMBL8058078 0.79 EDNRA (0.78) EDNRA
SCHEMBL8889440 0.78 EDNRA (1.00) EDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US disclosed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US disclosed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP disclosed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO disclosed