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Sugi Predict / Compounds / SCHEMBL21030784

SCHEMBL21030784

SCHEMBL21030784

Cc1cc(Cl)c(COc2cccc3c(-n4nccn4)cc(C)nc23)c([C@H](C)NC(=O)C(C)(C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 16/20 0.45
▸ RORC P51449 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL22334188 0.93 BDKRB2 (0.44) BDKRB2RORCCYP3A4
SCHEMBL24426919 0.89 BDKRB2 (0.42) BDKRB2RORCCYP3A4
SCHEMBL24426928 0.87 BDKRB2 (0.45) BDKRB2RORC
SCHEMBL24426969 0.87 BDKRB2 (0.40) BDKRB2RORCCYP3A4
SCHEMBL24427001 0.84 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL24427013 0.83 BDKRB2 (0.48) BDKRB2RORCCYP3A4
SCHEMBL21030792 0.82 BDKRB2 (0.45) BDKRB2RORCCYP3A4
SCHEMBL21030787 0.82 BDKRB2 (0.45) BDKRB2RORCCYP3A4
SCHEMBL22320061 0.82 BDKRB2 (0.46) BDKRB2RORC
SCHEMBL21030160 0.82 BDKRB2 (0.46) BDKRB2RORC

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 3 patents. 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
EP-3713928-B1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS PHARVARIS NETHERLANDS B V (NL) 2022-01-12 — — EP disclosed
WO-2019101906-A1 NOVEL BRADYKININ B2 RECEPTOR ANTAGONISTS PHARVARIS B.V. (NL) 2019-05-31 — — WO disclosed