SCHEMBL24427013

SCHEMBL24427013

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 18/20 0.48
CYP3A4 P08684 1/20 0.39
RORC P51449 2/20 0.39

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
SCHEMBL21030181 0.93 BDKRB2 (0.46) BDKRB2CYP3A4RORC
SCHEMBL24427001 0.91 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL24427014 0.88 BDKRB2 (0.45) BDKRB2CYP3A4RORC
SCHEMBL24427008 0.86 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL24427011 0.86 BDKRB2 (0.45) BDKRB2CYP3A4
SCHEMBL22334198 0.84 BDKRB2 (0.57) BDKRB2CYP3A4
SCHEMBL24426919 0.84 BDKRB2 (0.42) BDKRB2CYP3A4RORC
SCHEMBL24426969 0.84 BDKRB2 (0.40) BDKRB2CYP3A4RORC
SCHEMBL21030784 0.83 BDKRB2 (0.45) BDKRB2CYP3A4RORC
SCHEMBL24427019 0.82 BDKRB2 (0.60) 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