SCHEMBL5983329

SCHEMBL5983329

NC(=O)CC12OC1NCCN2S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.40
EPHX2 P34913 3/20 0.39
DPP4 P27487 1/20 0.38
LIPE Q05469 1/20 0.37
EPHX1 P07099 2/20 0.37
AKR1C3 P42330 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MMP9 P14780 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
MMP2 P08253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL5982505 0.87 EPHX2 (0.38) EPHX2AKR1C3MEN1KMT2AMMP3
SCHEMBL5982998 0.85 HSD11B1 (0.34) EPHX2
SCHEMBL4520793 0.72 BDKRB1 (0.49)
SCHEMBL5006180 0.72 BDKRB1 (0.51)
SCHEMBL4524279 0.72 BDKRB1 (0.55)
SCHEMBL309809 0.66 MEN1 (0.55) EPHX2DPP4LIPEEPHX1MEN1
SCHEMBL308589 0.66 MEN1 (0.55) EPHX2DPP4LIPEEPHX1MEN1
SCHEMBL12623940 0.65 L3MBTL1 (0.50) LIPEMEN1KMT2AMMP9MMP1
SCHEMBL309646 0.64 MAPT (0.58) EPHX2LIPEEPHX1MEN1KMT2A
SCHEMBL2173168 0.63 EPHX2 (0.57) EPHX2DPP4LIPEEPHX1MEN1

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 claimed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO claimed