SCHEMBL6488797

SCHEMBL6488797

CS(=O)(=O)NCC(=O)N[C@@H]1CN2C(=O)N(c3cc(Cl)nc(Cl)c3)C(=O)[C@@]2(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LIPE Q05469 3/20 0.35
RPA1 P27694 1/20 0.34
PAX8 Q06710 1/20 0.34
GCGR P47871 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
IDH1 O75874 2/20 0.33
LMNA P02545 1/20 0.33
METAP2 P50579 1/20 0.33
MCHR1 Q99705 1/20 0.33
EPHX2 P34913 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL6478274 0.89 PAX8 (0.37) LIPEPAX8GCGRNR1H2NR1H3
SCHEMBL6478251 0.88 LIPE (0.37) CCR2LIPEGCGRIDH1METAP2
SCHEMBL4849155 0.88 SMPD3 (0.38) LIPEGCGRIDH1LMNAMETAP2
SCHEMBL4845094 0.88 LIPE (0.36) CCR2LIPEGCGRIDH1MCHR1
SCHEMBL4848881 0.88 GCGR (0.38) CCR2L3MBTL1LIPEGCGRIDH1
SCHEMBL6478087 0.87 GCGR (0.36) CCR2L3MBTL1LIPEGCGRIDH1
SCHEMBL6477360 0.86 GCGR (0.35) LIPEGCGRIDH1METAP2EPHX2
SCHEMBL4845087 0.85 GCGR (0.36) LIPEGCGRIDH1PPARGPPARD
SCHEMBL6479033 0.84 LIPE (0.33) CCR2LIPEGCGRMETAP2MCHR1
SCHEMBL4848580 0.83 KDM1A (0.35) CCR2LIPEGCGRMCHR1EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed