SCHEMBL5986044

SCHEMBL5986044

Cc1ccc(S(=O)(=O)N2CC(C)(C)NC(=O)[C@H]2CC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.51
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MMP2 P08253 3/20 0.40
ANPEP P15144 1/20 0.40

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
SCHEMBL5986046 1.00 BDKRB1 (0.51) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4516397 0.90 BDKRB1 (0.52) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4523939 0.86 ALDH1A1 (0.67) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL4519076 0.86 ALDH1A1 (0.67) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL14307677 0.83 BDKRB1 (0.40) BDKRB1ALDH1A1MAPT
SCHEMBL5982557 0.79 ALDH1A1 (0.74) BDKRB1ALDH1A1POLBMAPT
SCHEMBL5982477 0.79 ALDH1A1 (0.74) BDKRB1ALDH1A1POLBMAPT
SCHEMBL5984080 0.79 ALDH1A1 (0.74) BDKRB1ALDH1A1POLBMAPT
SCHEMBL14318666 0.78 ALDH1A1 (0.49) BDKRB1ALDH1A1POLBMAPTMMP2
SCHEMBL5503691 0.73 BDKRB1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed