SCHEMBL6478158

SCHEMBL6478158

CN(C)CCCC(=O)N[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 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.37
GCGR P47871 3/20 0.36
CHRM4 P08173 2/20 0.36
LIPE Q05469 5/20 0.35
METAP2 P50579 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR2 P41597 2/20 0.34
SCN9A Q15858 1/20 0.34
MCHR1 Q99705 1/20 0.33
ENPP2 Q13822 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
SCHEMBL4841756 0.88 CHRM4 (0.37) GCGRCHRM4LIPEMETAP2EPHX2
SCHEMBL4844861 0.87 METAP2 (0.39) GCGRLIPEMETAP2SCN9A
SCHEMBL6478087 0.85 GCGR (0.36) GCGRCHRM4LIPEEPHX2L3MBTL1
SCHEMBL4850172 0.85 KDM1A (0.36) GCGRCHRM4LIPEMETAP2EPHX2
SCHEMBL4845094 0.84 LIPE (0.36) GCGRLIPEEPHX2CCR2MCHR1
SCHEMBL4848881 0.83 GCGR (0.38) GCGRCHRM4LIPEL3MBTL1CCR2
SCHEMBL4848621 0.82 METAP2 (0.39) GCGRLIPEMETAP2EPHX2CCR2
SCHEMBL4848356 0.81 METAP2 (0.37) GCGRCHRM4LIPEMETAP2SCN9A
SCHEMBL6478251 0.80 LIPE (0.37) GCGRCHRM4LIPEMETAP2EPHX2
SCHEMBL4849155 0.80 SMPD3 (0.38) GCGRLIPEMETAP2

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