SCHEMBL5011095

SCHEMBL5011095

COC(=O)c1cccc(-c2ccc3c(c2)CCCC3NC(=O)CC2C(=O)NCCN2S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.71
CYP3A4 P08684 1/20 0.68

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
SCHEMBL4960794 1.00 BDKRB1 (0.71) BDKRB1CYP3A4
SCHEMBL4960803 1.00 BDKRB1 (0.71) BDKRB1CYP3A4
SCHEMBL4960795 1.00 BDKRB1 (0.71) BDKRB1CYP3A4
SCHEMBL5011094 1.00 BDKRB1 (0.71) BDKRB1CYP3A4
SCHEMBL4958267 0.93 BDKRB1 (0.73) BDKRB1CYP3A4
SCHEMBL4959820 0.93 BDKRB1 (0.73) BDKRB1CYP3A4
SCHEMBL4961956 0.93 BDKRB1 (0.73) BDKRB1CYP3A4
SCHEMBL4957908 0.92 BDKRB1 (0.74) BDKRB1CYP3A4
SCHEMBL4957898 0.92 BDKRB1 (0.74) BDKRB1CYP3A4
SCHEMBL4522376 0.92 BDKRB1 (0.74) BDKRB1CYP3A4

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-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP claimed