SCHEMBL6478251

SCHEMBL6478251

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 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.37
CCR2 P41597 2/20 0.35
GCGR P47871 2/20 0.34
CHRM4 P08173 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
TEAD1 P28347 1/20 0.34
METAP2 P50579 1/20 0.34
MCHR1 Q99705 3/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
EPHX2 P34913 1/20 0.33
IDH1 O75874 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
SCHEMBL6477360 0.92 GCGR (0.35) LIPEGCGRKCNN3TEAD1METAP2
SCHEMBL4848881 0.92 GCGR (0.38) LIPECCR2GCGRCHRM4MCHR1
SCHEMBL4849155 0.91 SMPD3 (0.38) LIPEGCGRKCNN3TEAD1METAP2
SCHEMBL4845094 0.90 LIPE (0.36) LIPECCR2GCGRMCHR1PPARG
SCHEMBL6479033 0.90 LIPE (0.33) LIPECCR2GCGRCHRM4KCNN3
SCHEMBL6478087 0.89 GCGR (0.36) LIPECCR2GCGRCHRM4KCNN3
SCHEMBL4845087 0.89 GCGR (0.36) LIPEGCGRPPARGPPARDPPARA
SCHEMBL6488797 0.88 CCR2 (0.36) LIPECCR2GCGRMETAP2MCHR1
SCHEMBL4850936 0.87 F2R (0.43) LIPEGCGRKCNN3EPHX2IDH1
SCHEMBL6487042 0.87 FPR2 (0.33) LIPECCR2GCGRMCHR1PPARG

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