SCHEMBL8548815

SCHEMBL8548815

CCCCN(C(N)=O)c1ccc2c(c1)c(-c1ccc(CO)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.46
EDNRA P25101 3/20 0.41
AGTR2 P50052 5/20 0.33
AGTR1 P30556 3/20 0.33

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
SCHEMBL8552260 0.93 EDNRB (0.47) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8551968 0.93 EDNRB (0.55) EDNRBEDNRA
SCHEMBL8553120 0.92 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8545781 0.92 EDNRB (0.44) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8547310 0.91 EDNRB (0.47) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8548814 0.89 EDNRB (0.57) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8547944 0.86 EDNRB (0.44) EDNRBEDNRAAGTR2
SCHEMBL8624245 0.86 EDNRB (0.43) EDNRBEDNRAAGTR2AGTR1
SCHEMBL8591727 0.86 EDNRB (0.56) EDNRBEDNRAAGTR2
SCHEMBL8655565 0.85 EDNRB (0.45) EDNRBEDNRAAGTR2AGTR1

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