SCHEMBL6478087

SCHEMBL6478087

CCCCC(=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 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.36
MCHR1 Q99705 2/20 0.36
CHRM4 P08173 2/20 0.36
LIPE Q05469 4/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNN3 Q9UGI6 1/20 0.34
CCR2 P41597 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
IDH1 O75874 3/20 0.33
CYP2C9 P11712 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
SCHEMBL4848881 0.92 GCGR (0.38) GCGRMCHR1CHRM4LIPEL3MBTL1
SCHEMBL6478251 0.89 LIPE (0.37) GCGRMCHR1CHRM4LIPEEPHX2
SCHEMBL4849155 0.89 SMPD3 (0.38) GCGRLIPEKCNN3PPARDPPARA
SCHEMBL4845094 0.89 LIPE (0.36) GCGRMCHR1LIPEEPHX2CCR2
SCHEMBL6477360 0.88 GCGR (0.35) GCGRLIPEEPHX2KCNN3IDH1
SCHEMBL4848580 0.87 KDM1A (0.35) GCGRMCHR1CHRM4LIPEEPHX2
SCHEMBL6478091 0.87 KCNN3 (0.35) GCGRMCHR1LIPEKCNN3IDH1
SCHEMBL6488797 0.87 CCR2 (0.36) GCGRMCHR1LIPEEPHX2L3MBTL1
SCHEMBL4845087 0.87 GCGR (0.36) GCGRLIPEPPARGPPARDPPARA
SCHEMBL6479033 0.85 LIPE (0.33) GCGRMCHR1CHRM4LIPEEPHX2

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