SCHEMBL21030331

SCHEMBL21030331

Cc1cc(Cl)c(COc2cccc3c(-n4cc(F)cn4)cc(C)nc23)c([C@H](C)NC(=O)C2COC2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 13/20 0.43
RORC P51449 7/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22334224 0.95 BDKRB2 (0.44) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL24426997 0.93 BDKRB2 (0.44) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL21030783 0.90 BDKRB2 (0.42) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL22334189 0.90 BDKRB2 (0.42) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL24427006 0.89 BDKRB2 (0.40) BDKRB2RORC
SCHEMBL24426996 0.89 BDKRB2 (0.40) BDKRB2RORC
SCHEMBL24427000 0.89 BDKRB2 (0.40) BDKRB2RORC
SCHEMBL24427007 0.89 BDKRB2 (0.40) BDKRB2RORC
SCHEMBL24426930 0.89 BDKRB2 (0.41) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL21030171 0.89 BDKRB2 (0.41) 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