SCHEMBL7841720

SCHEMBL7841720

COc1ccc(Cl)c(Oc2c(COC(=O)Nc3ccccn3)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)C)cn2)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.68
EDNRA P25101 20/20 0.68

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
SCHEMBL7850710 0.95 EDNRB (0.70) EDNRBEDNRA
SCHEMBL7849705 0.91 EDNRB (0.83) EDNRBEDNRA
SCHEMBL7842111 0.86 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7841645 0.85 EDNRA (0.58) EDNRBEDNRA
SCHEMBL7841546 0.82 EDNRA (0.59) EDNRBEDNRA
SCHEMBL7848808 0.82 EDNRA (0.59) EDNRBEDNRA
SCHEMBL5999010 0.81 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7849591 0.81 EDNRA (0.71) EDNRBEDNRA
SCHEMBL7852102 0.80 EDNRA (0.57) EDNRBEDNRA
SCHEMBL6784914 0.80 EDNRB (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed