SCHEMBL4695873

SCHEMBL4695873

CCCN(C(=O)C[C@@]1(I)C(=O)NC=CN1S(=O)(=O)c1ccc(C)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
TP53 P04637 2/20 0.40
GPR119 Q8TDV5 13/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
STAT3 P40763 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4695915 0.83 EPHX2 (0.47) MMP13TP53GPR119EPHX2MEN1
SCHEMBL4162073 0.81 BDKRB1 (0.52)
SCHEMBL4177058 0.75 BDKRB1 (0.53)
SCHEMBL4173221 0.75 BDKRB1 (0.53)
SCHEMBL4186841 0.71 BDKRB1 (0.53)
SCHEMBL4173208 0.71 BDKRB1 (0.53)
SCHEMBL4180773 0.67 BDKRB1 (0.72)
SCHEMBL216692 0.67 GPR119 (0.58) MMP13TP53GPR119KDM4EMEN1
SCHEMBL10265584 0.66 GPR119 (0.57) MMP13TP53GPR119KDM4EEPHX2
SCHEMBL4172644 0.66 BDKRB1 (0.57)

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-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed