SCHEMBL6477360

SCHEMBL6477360

NC(=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 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.35
KCNN3 Q9UGI6 1/20 0.35
TEAD1 P28347 1/20 0.35
METAP2 P50579 1/20 0.34
LIPE Q05469 5/20 0.34
IDH1 O75874 7/20 0.34
EPHX2 P34913 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
SCHEMBL6478251 0.92 LIPE (0.37) GCGRKCNN3TEAD1METAP2LIPE
SCHEMBL4849155 0.92 SMPD3 (0.38) GCGRKCNN3TEAD1METAP2LIPE
SCHEMBL4845087 0.91 GCGR (0.36) GCGRLIPEIDH1
SCHEMBL4848881 0.90 GCGR (0.38) GCGRLIPEIDH1
SCHEMBL6479033 0.90 LIPE (0.33) GCGRKCNN3TEAD1METAP2LIPE
SCHEMBL6478244 0.89 KCNN3 (0.34) GCGRKCNN3TEAD1METAP2LIPE
SCHEMBL4845094 0.88 LIPE (0.36) GCGRLIPEIDH1EPHX2
SCHEMBL4850936 0.88 F2R (0.43) GCGRKCNN3LIPEIDH1EPHX2
SCHEMBL6478087 0.88 GCGR (0.36) GCGRKCNN3LIPEIDH1EPHX2
SCHEMBL6488797 0.86 CCR2 (0.36) GCGRMETAP2LIPEIDH1EPHX2

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