SCHEMBL4986385

SCHEMBL4986385

Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]2CCCc3cc(CN4CCC(F)CC4)ccc32)cc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.89
CYP3A4 P08684 1/20 0.76

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
SCHEMBL4957065 1.00 BDKRB1 (0.89) BDKRB1CYP3A4
SCHEMBL13936517 0.95 BDKRB1 (0.98) BDKRB1
SCHEMBL13936516 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL4957132 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL4959308 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL13936521 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL4957986 0.94 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4530960 0.94 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4530961 0.94 BDKRB1 (1.00) BDKRB1CYP3A4
SCHEMBL4961593 0.93 BDKRB1 (0.89) BDKRB1

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
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US claimed