SCHEMBL24427014

SCHEMBL24427014

CCn1ncnc1-c1cc(C)nc2c(OCc3c(Cl)cc(C)cc3[C@H](C)NC(=O)COC(F)(F)F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 15/20 0.45
RORC P51449 5/20 0.38
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
SCHEMBL21031777 0.94 BDKRB2 (0.45) BDKRB2RORCCYP3A4
SCHEMBL24427013 0.88 BDKRB2 (0.48) BDKRB2RORCCYP3A4
SCHEMBL22334169 0.86 BDKRB2 (0.55) BDKRB2CYP3A4
SCHEMBL21030347 0.85 BDKRB2 (0.45) BDKRB2RORCCYP3A4
SCHEMBL24427011 0.85 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL21030526 0.84 BDKRB2 (0.57) BDKRB2CYP3A4
SCHEMBL24427008 0.83 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL24427017 0.83 BDKRB2 (0.56) BDKRB2CYP3A4
SCHEMBL21030181 0.82 BDKRB2 (0.46) BDKRB2RORCCYP3A4
SCHEMBL24427020 0.81 BDKRB2 (0.58) 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