SCHEMBL6640387

SCHEMBL6640387

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CN1C=CC(C(F)(F)F)N1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.43
EDNRA P25101 18/20 0.43

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 0.83 EDNRA (0.48) EDNRBEDNRA
SCHEMBL6646134 0.83 EDNRA (0.48) EDNRBEDNRA
SCHEMBL6975042 0.81 EDNRB (0.66) EDNRBEDNRA
SCHEMBL6641177 0.79 EDNRA (0.46) EDNRBEDNRA
SCHEMBL8568526 0.79 EDNRB (0.30) EDNRBEDNRA
SCHEMBL6639611 0.76 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6643297 0.75 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8684550 0.74 EDNRA (0.36) EDNRBEDNRA
SCHEMBL8684450 0.74 EDNRA (0.38) EDNRBEDNRA
SCHEMBL6643190 0.74 EDNRB (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921800-B1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2004-04-14 EP disclosed