SCHEMBL4293247

SCHEMBL4293247

CCNc1cc(NCc2ccc(-c3ccccc3S(=O)(=O)Nc3noc(C)c3C)c(COCC)c2)nc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.56
AGTR1 P30556 3/20 0.56
EDNRB P24530 4/20 0.41

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
SCHEMBL13574885 0.95 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL13574897 0.94 EDNRA (0.56) EDNRAAGTR1EDNRB
SCHEMBL13574943 0.94 EDNRA (0.56) EDNRAAGTR1EDNRB
SCHEMBL13574909 0.93 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL4283284 0.93 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL4433929 0.92 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL4283823 0.92 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL4282124 0.92 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL13574942 0.92 EDNRA (0.55) EDNRAAGTR1EDNRB
SCHEMBL13574944 0.90 EDNRA (0.55) EDNRAAGTR1EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO claimed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed