SCHEMBL24427019

SCHEMBL24427019

Cc1cc(Cl)c(COc2cccc3c(-c4[nH]ncc4C)cc(C)nc23)c([C@H](C)NC(=O)C(C)(C)O)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.60
CYP3A4 P08684 1/20 0.46

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
SCHEMBL21030177 0.93 BDKRB2 (0.58) BDKRB2CYP3A4
SCHEMBL24427001 0.83 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL21030176 0.83 BDKRB2 (0.60) BDKRB2CYP3A4
SCHEMBL21030184 0.83 BDKRB2 (0.60) BDKRB2CYP3A4
SCHEMBL13146205 0.83 BDKRB2 (0.62) BDKRB2CYP3A4
SCHEMBL24427013 0.82 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL21030784 0.81 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL13146188 0.81 BDKRB2 (0.65) BDKRB2CYP3A4
SCHEMBL21030182 0.81 BDKRB2 (0.57) BDKRB2CYP3A4
SCHEMBL13146204 0.80 BDKRB2 (0.64) BDKRB2CYP3A4

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
EP-3998259-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS Pharvaris Netherlands B.V. (NL) 2022-05-18 EP disclosed