SCHEMBL24427025

SCHEMBL24427025

Cc1cc(Cl)c(COc2cccc3c(-c4ccnn4C)cc(C)nc23)c([C@H](C)NC(=O)c2cnco2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 20/20 0.60
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL21030338 0.93 BDKRB2 (0.58) BDKRB2CYP3A4CYP2C19
SCHEMBL24426955 0.91 BDKRB2 (0.58) BDKRB2
SCHEMBL24427026 0.88 BDKRB2 (0.61) BDKRB2CYP3A4CYP2C19
SCHEMBL24427022 0.87 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19
SCHEMBL24427027 0.87 BDKRB2 (0.63) BDKRB2CYP3A4CYP2C19
SCHEMBL22334172 0.84 BDKRB2 (0.57) BDKRB2
SCHEMBL24427021 0.84 BDKRB2 (0.57) BDKRB2
SCHEMBL24427029 0.83 BDKRB2 (0.45) BDKRB2
SCHEMBL21030336 0.81 BDKRB2 (0.59) BDKRB2CYP3A4CYP2C19
SCHEMBL13145429 0.81 BDKRB2 (0.78) 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
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