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SCHEMBL4800877

SCHEMBL4800877

CNCc1ccc(C(=O)Nc2cc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)ccc2C)cc1.Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)c1ccc(CN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 15/20 0.49
▸ LSS P48449 1/20 0.47
▸ PROKR1 Q8TCW9 1/20 0.42
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL4736874 0.95 FASN (0.53) FASNLSSPROKR1MAPK13MAPK12
SCHEMBL4732202 0.95 FASN (0.53) FASNPROKR1SLC6A4HRH3EGLN1
SCHEMBL4800869 0.91 FASN (0.49) FASNPROKR1MAPK11MAPK14SLC6A4
SCHEMBL4733290 0.86 FASN (0.53) FASNPROKR1EGLN1
SCHEMBL4734375 0.84 FASN (0.66) FASNPROKR1EGLN1
SCHEMBL4734368 0.81 FASN (0.53) FASNPROKR1MAPK11MAPK14EGLN1
SCHEMBL4733303 0.80 FASN (0.60) FASNPROKR1EGLN1
SCHEMBL4734716 0.79 FASN (0.49) FASNPROKR1EGLN1
SCHEMBL4191343 0.79 FASN (0.46) FASNPROKR1EGLN1
SCHEMBL4735905 0.79 FASN (0.63) FASNPROKR1EGLN1

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 claimed