SCHEMBL4732202

SCHEMBL4732202

CNCc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)ccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 16/20 0.53
PROKR1 Q8TCW9 1/20 0.46
SLC6A4 P31645 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 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
SCHEMBL4800869 0.96 FASN (0.49) FASNPROKR1SLC6A4HRH3EGLN1
SCHEMBL4800877 0.95 FASN (0.49) FASNPROKR1SLC6A4HRH3EGLN1
SCHEMBL4733290 0.90 FASN (0.53) FASNPROKR1EGLN1ALDH1A1KMT2A
SCHEMBL4736874 0.89 FASN (0.53) FASNPROKR1EGLN1ALDH1A1KMT2A
SCHEMBL4734375 0.88 FASN (0.66) FASNPROKR1EGLN1
SCHEMBL4734368 0.85 FASN (0.53) FASNPROKR1EGLN1
SCHEMBL4734716 0.83 FASN (0.49) FASNPROKR1EGLN1
SCHEMBL4735905 0.83 FASN (0.63) FASNPROKR1EGLN1
SCHEMBL4733280 0.82 FASN (0.69) FASNPROKR1EGLN1ALDH1A1
SCHEMBL4735662 0.82 FASN (0.59) FASNKMT2A

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