SCHEMBL8548900

SCHEMBL8548900

CCCCN(c1ccc2c(c1)c(-c1ccc(C=O)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1)S(=O)(=O)CCCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.53
EDNRA P25101 9/20 0.48
SERPINE1 P05121 4/20 0.38
PSMD14 O00487 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8547943 0.92 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8553567 0.90 EDNRB (0.67) EDNRBEDNRASERPINE1
SCHEMBL8548902 0.90 EDNRB (0.43) EDNRBEDNRA
SCHEMBL8548124 0.88 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8655564 0.87 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8545779 0.86 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8551100 0.84 EDNRB (0.56) EDNRBEDNRASERPINE1PSMD14LMNA
SCHEMBL8551990 0.84 EDNRB (0.51) EDNRBEDNRASERPINE1
SCHEMBL8551081 0.83 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8547944 0.82 EDNRB (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed