SCHEMBL6646134

SCHEMBL6646134

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CBr

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.48
EDNRB P24530 18/20 0.48

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
SCHEMBL6638557 0.93 EDNRA (0.48) EDNRAEDNRB
SCHEMBL8684450 0.89 EDNRA (0.38) EDNRAEDNRB
SCHEMBL6640325 0.88 EDNRA (0.52) EDNRAEDNRB
SCHEMBL6641177 0.88 EDNRA (0.46) EDNRAEDNRB
SCHEMBL6975042 0.85 EDNRB (0.66) EDNRAEDNRB
SCHEMBL6640387 0.83 EDNRB (0.43) EDNRAEDNRB
SCHEMBL8684550 0.82 EDNRA (0.36) EDNRAEDNRB
SCHEMBL6639674 0.81 EDNRA (0.49) EDNRAEDNRB
SCHEMBL6700336 0.81 EDNRA (0.48) EDNRAEDNRB
SCHEMBL6641057 0.81 EDNRA (0.65) EDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996618-B1 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) 2003-11-12 EP claimed
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 claimed
EP-0921800-B1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2004-04-14 EP disclosed
EP-0996618-B1 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) 2003-11-12 EP disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO 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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed