SCHEMBL8043631

SCHEMBL8043631

CCN(C(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)c1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.63
EDNRB P24530 17/20 0.63
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
DHPS P49366 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR1I3 Q14994 1/20 0.45

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
SCHEMBL7566513 0.87 EDNRA (0.65) EDNRAEDNRB
SCHEMBL7569456 0.85 EDNRA (0.64) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8042473 0.85 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7573822 0.85 EDNRA (0.72) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7567518 0.84 EDNRA (0.65) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL8043626 0.84 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7567952 0.83 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7939658 0.82 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7569426 0.81 EDNRA (0.58) EDNRAEDNRB
SCHEMBL7575392 0.81 EDNRA (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2930731-B2 1999-08-03 JP claimed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed