SCHEMBL7383296

SCHEMBL7383296

Cc1onc(NS(=O)(=O)c2cc(-c3ncco3)ccc2-c2ccccc2CN2CCC(C)(C)C2=O)c1C

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.90
EDNRA P25101 18/20 0.90

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
SCHEMBL802617 0.95 EDNRB (1.00) EDNRBEDNRA
SCHEMBL8684553 0.84 EDNRA (0.81) EDNRBEDNRA
SCHEMBL6638622 0.83 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6640830 0.80 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6703895 0.79 EDNRA (0.71) EDNRBEDNRA
SCHEMBL8496971 0.77 EDNRA (0.63) EDNRBEDNRA
SCHEMBL6975042 0.76 EDNRB (0.66) EDNRBEDNRA
SCHEMBL6696366 0.74 EDNRA (0.66) EDNRBEDNRA
SCHEMBL6540714 0.74 EDNRA (0.63) EDNRBEDNRA
SCHEMBL4773159 0.74 EDNRA (0.61) EDNRBEDNRA

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
EP-0996618-A1 ENDOTHELIN ANTAGONISTS: N- 2'- (4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'- (3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-03 EP disclosed
EP-0996618-A4 ENDOTHELIN ANTAGONISTS: N- 2'- (4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'- (3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL) 1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL MYERS SQUIBB CO (US) 2000-05-03 EP disclosed
US-6043265-A TREATING HYPERTENSION, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MIGRAINE, UROGENITAL DISORDERS, ENDOTOXEMIA, ISCHEMIA, ATHEROSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB CO. (US) 2000-03-28 US disclosed
WO-1998033780-A1 ENDOTHELIN ANTAGONISTS: N-[[2'-[ [(4,5-DIMETHYL-3-ISOXAZOLYL) AMINO]SULFONYL]-4-(2-OXAZOLYL) [1,1'-BIPHENYL]-2-YL]METHYL] -N,3,3-TRIMETHYLBUTANAMIDE AND N-(4,5-DIMETHYL-3-ISOXAZOLYL) -2'-[(3,3-DIMETHYL-2-OXO-1-PYRROLIDINYL) METHYL] -4'-(2-OXAZOLYL)[1,1'-BIPHENYL]-2-SULFONAMIDE AND SALTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO disclosed