SCHEMBL13448481

SCHEMBL13448481

C/C=C(C)\C(=N/C)c1cc(C)nc2c(OCc3c(Cl)cc(C)nc3COC(=O)C(C)C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL13448511 0.93 BDKRB2 (0.40) BDKRB2
SCHEMBL13448514 0.85 BDKRB2 (0.41) BDKRB2CYP3A4
SCHEMBL13093084 0.82 BDKRB2 (0.54) BDKRB2CYP3A4
SCHEMBL12711410 0.81 BDKRB2 (0.57) BDKRB2
SCHEMBL14038656 0.80 BDKRB2 (0.38) BDKRB2CYP3A4
SCHEMBL13448509 0.80 BDKRB2 (0.39) BDKRB2CYP3A4
SCHEMBL13093256 0.78 BDKRB2 (0.38) BDKRB2
SCHEMBL12712405 0.78 BDKRB2 (0.62) BDKRB2CYP3A4
SCHEMBL1710187 0.76 BDKRB2 (0.48) BDKRB2CYP3A4
SCHEMBL13448488 0.75 BDKRB2 (0.39) 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
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 WO disclosed