SCHEMBL4736874

SCHEMBL4736874

Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1ccc(CN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.53
LSS P48449 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PROKR1 Q8TCW9 2/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 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
SCHEMBL4800877 0.95 FASN (0.49) FASNLSSMAPK13MAPK12MAPK11
SCHEMBL4733290 0.90 FASN (0.53) FASNEGLN1PROKR1ALDH1A1KMT2A
SCHEMBL4732202 0.89 FASN (0.53) FASNEGLN1PROKR1ALDH1A1KMT2A
SCHEMBL4734375 0.88 FASN (0.66) FASNEGLN1PROKR1
SCHEMBL4800869 0.85 FASN (0.49) FASNMAPK11MAPK14EGLN1PROKR1
SCHEMBL4734368 0.85 FASN (0.53) FASNMAPK11MAPK14EGLN1PROKR1
SCHEMBL4733303 0.84 FASN (0.60) FASNEGLN1PROKR1
SCHEMBL4734716 0.83 FASN (0.49) FASNEGLN1PROKR1
SCHEMBL4191343 0.83 FASN (0.46) FASNEGLN1PROKR1
SCHEMBL4735905 0.83 FASN (0.63) FASNEGLN1PROKR1

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