SCHEMBL30171097

SCHEMBL30171097

CCOCc1cc(CBr)ccc1-c1ccccc1S(=O)(=O)N(COCCOC)c1noc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.41
AGTR1 P30556 2/20 0.41
EDNRB P24530 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
SCHEMBL5531210 1.00 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL534996 0.94 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL5532055 0.92 EDNRA (0.38) EDNRAAGTR1EDNRB
SCHEMBL30171054 0.92 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL5523918 0.92 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL30171050 0.89 EDNRA (0.36) EDNRAAGTR1EDNRB
SCHEMBL13574893 0.88 EDNRA (0.43) EDNRAAGTR1EDNRB
SCHEMBL30757333 0.88 EDNRA (0.37) EDNRAAGTR1EDNRB
SCHEMBL4773156 0.88 EDNRA (0.41) EDNRAAGTR1EDNRB
SCHEMBL5529587 0.88 EDNRA (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745983-A Angiotensin and endothelin receptor antagonist and application thereof 深圳信立泰药业股份有限公司 2023-03-07 CN disclosed