SCHEMBL1387310

SCHEMBL1387310

COc1nc(C)cnc1NS(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 13/20 0.81
ABCB11 O95342 1/20 0.76
CCR4 P51679 1/20 0.55
EDNRB P24530 1/20 0.54

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
SCHEMBL795555 0.90 EDNRA (0.66) EDNRAABCB11CCR4
SCHEMBL1387409 0.89 EDNRA (1.00) EDNRAABCB11CCR4
SCHEMBL1387204 0.89 EDNRA (0.79) EDNRAABCB11CCR4
SCHEMBL7424965 0.89 ABCB11 (0.71) EDNRAABCB11CCR4
SCHEMBL7366024 0.87 ABCB11 (1.00) EDNRAABCB11CCR4
SCHEMBL1387397 0.87 EDNRA (0.67) EDNRAABCB11CCR4
SCHEMBL1387150 0.86 EDNRA (0.77) EDNRAABCB11CCR4
SCHEMBL1387249 0.86 EDNRA (0.66) EDNRAABCB11CCR4
SCHEMBL1387274 0.85 EDNRA (0.60) EDNRAABCB11CCR4
SCHEMBL1387336 0.85 CCR4 (0.66) EDNRAABCB11CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US claimed
JP-H09510987-A 1997-11-04 JP claimed
EP-0752986-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1997-01-15 EP claimed
WO-1995026957-A1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1995-10-12 WO claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
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