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Sugi Predict / Compounds / SCHEMBL8551990

SCHEMBL8551990

SCHEMBL8551990

CCCCN(c1ccc2c(c1)c(-c1ccccc1OC)c(C(=O)O)n2Cc1ccc2nsnc2c1)S(=O)(=O)CCCC

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 12/20 0.51
▸ EDNRA P25101 9/20 0.48
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ SERPINE1 P05121 2/20 0.34
▸ CCR2 P41597 1/20 0.34

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
SCHEMBL8551081 0.92 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8551995 0.90 EDNRB (0.41) EDNRBEDNRAAGTR1AGTR2
SCHEMBL8548124 0.90 EDNRB (0.56) EDNRBEDNRASERPINE1
SCHEMBL8553567 0.88 EDNRB (0.67) EDNRBEDNRASERPINE1
SCHEMBL8550814 0.87 EDNRB (0.53) EDNRBEDNRAAGTR1AGTR2CCR2
SCHEMBL8624241 0.86 EDNRB (0.52) EDNRBEDNRAAGTR1AGTR2CCR2
SCHEMBL8547943 0.86 EDNRB (0.55) EDNRBEDNRASERPINE1
SCHEMBL8550371 0.84 EDNRB (0.53) EDNRBEDNRAAGTR1AGTR2SERPINE1
SCHEMBL8548900 0.84 EDNRB (0.53) EDNRBEDNRASERPINE1
SCHEMBL8551085 0.82 EDNRB (0.45) 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