SCHEMBL6490093

SCHEMBL6490093

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.37
SCN9A Q15858 1/20 0.35
CCR5 P51681 1/20 0.34
GCGR P47871 2/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
TEAD1 P28347 1/20 0.34
CYP3A4 P08684 1/20 0.33
CHRM4 P08173 1/20 0.33
LIPE Q05469 2/20 0.33
LSS P48449 1/20 0.33
GRM2 Q14416 1/20 0.33
OPRM1 P35372 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4848356 0.86 METAP2 (0.37) METAP2SCN9AGCGRHCRTR1HCRTR2
SCHEMBL4841746 0.84 METAP2 (0.39) METAP2SCN9AHCRTR1HCRTR2ITGB2
SCHEMBL14254856 0.84 METAP2 (0.39) METAP2SCN9AHCRTR1HCRTR2ITGB2
SCHEMBL4844861 0.84 METAP2 (0.39) METAP2SCN9AGCGRHCRTR1HCRTR2
SCHEMBL4841580 0.83 METAP2 (0.39) METAP2SCN9AGCGRHCRTR1HCRTR2
SCHEMBL4848499 0.82 SCN9A (0.42) METAP2SCN9AGCGRHCRTR1HCRTR2
SCHEMBL6489587 0.82 METAP2 (0.37) METAP2SCN9AHCRTR1HCRTR2ITGB2
SCHEMBL6478158 0.80 UTS2R (0.37) METAP2SCN9AGCGRCHRM4LIPE
SCHEMBL4848518 0.80 CCR5 (0.34) METAP2CCR5GCGRCYP3A4LIPE
SCHEMBL4885451 0.79 EPHX2 (0.38) METAP2SCN9ACHRM4TDP1

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