SCHEMBL4734368

SCHEMBL4734368

Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 17/20 0.53
PROKR1 Q8TCW9 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL4785044 0.89 FASN (0.45) FASN
SCHEMBL4734375 0.89 FASN (0.66) FASNPROKR1EGLN1
SCHEMBL4734411 0.86 FASN (0.67) FASN
SCHEMBL4733290 0.85 FASN (0.53) FASNPROKR1EGLN1
SCHEMBL4736874 0.85 FASN (0.53) FASNPROKR1EGLN1MAPK11MAPK14
SCHEMBL4732202 0.85 FASN (0.53) FASNPROKR1EGLN1
SCHEMBL4735905 0.84 FASN (0.63) FASNPROKR1EGLN1
SCHEMBL4733280 0.83 FASN (0.69) FASNPROKR1EGLN1
SCHEMBL4734716 0.82 FASN (0.49) FASNPROKR1EGLN1
SCHEMBL16802808 0.82 FASN (0.54) FASNEGLN1

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed