SCHEMBL4959573

SCHEMBL4959573

Cc1cc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(CNC4CCOCC4)ccc32)c(C)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.70
CYP3A4 P08684 1/20 0.61

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
SCHEMBL4960008 0.95 BDKRB1 (0.77) BDKRB1CYP3A4
SCHEMBL5006021 0.89 BDKRB1 (0.58) BDKRB1CYP3A4
SCHEMBL4959009 0.89 BDKRB1 (0.76) BDKRB1CYP3A4
SCHEMBL4957070 0.89 BDKRB1 (0.61) BDKRB1CYP3A4
SCHEMBL4957022 0.86 BDKRB1 (0.81) BDKRB1
SCHEMBL5010972 0.86 BDKRB1 (0.60) BDKRB1CYP3A4
SCHEMBL4957076 0.86 BDKRB1 (0.77) BDKRB1
SCHEMBL4958391 0.86 BDKRB1 (0.66) BDKRB1CYP3A4
SCHEMBL4958336 0.83 BDKRB1 (0.60) BDKRB1CYP3A4
SCHEMBL4957940 0.82 BDKRB1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP claimed
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
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed