SCHEMBL24427030

SCHEMBL24427030

Cc1cc(Cl)c(COc2cccc3c(-n4cc(F)cn4)cc(C)nc23)c([C@H](C)NC(=O)c2ccon2)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 18/20 0.43
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL21030535 0.95 BDKRB2 (0.43) BDKRB2CYP3A4
SCHEMBL21030565 0.90 BDKRB2 (0.46) BDKRB2
SCHEMBL24426836 0.90 BDKRB2 (0.43) BDKRB2
SCHEMBL24426848 0.90 BDKRB2 (0.43) BDKRB2
SCHEMBL24426843 0.89 BDKRB2 (0.42) BDKRB2CYP3A4
SCHEMBL24426835 0.89 BDKRB2 (0.43) BDKRB2CYP3A4
SCHEMBL24426904 0.88 BDKRB2 (0.44) BDKRB2
SCHEMBL22334175 0.88 BDKRB2 (0.42) BDKRB2
SCHEMBL24427029 0.88 BDKRB2 (0.45) BDKRB2
SCHEMBL24427033 0.88 BDKRB2 (0.45) 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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