SCHEMBL6609010

SCHEMBL6609010

Cc1cc(C)c(S(=O)(=O)N2CCC(NCC(=O)N3CC[C@H](F)C3)CC2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.54
DHCR7 Q9UBM7 2/20 0.54
EPHX2 P34913 13/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5220162 0.81 DPP4 (0.62) EBPDHCR7EPHX2
SCHEMBL5220325 0.81 DPP4 (0.62) EBPDHCR7EPHX2
Hydrochloric Acid SCHEMBL5223972 0.81 DPP4 (0.61) EBPDHCR7EPHX2
SCHEMBL22032778 0.76 EBP (0.69) EBPDHCR7EPHX2KMT2AMEN1
SCHEMBL17007408 0.74 EBP (0.60) EBPDHCR7EPHX2ALDH1A1
SCHEMBL6605625 0.73 NPSR1 (0.51) MAPK1ALDH1A1MAPT
SCHEMBL22033858 0.72 EPHX2 (0.62) EBPDHCR7EPHX2ALDH1A1
SCHEMBL22033224 0.71 EPHX2 (0.62) EBPDHCR7EPHX2ALDH1A1MAPT
SCHEMBL22032753 0.71 EPHX2 (0.64) EBPDHCR7EPHX2KMT2AMEN1
SCHEMBL22033227 0.71 EBP (1.00) EBPDHCR7EPHX2

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-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 WO disclosed