SCHEMBL4733770

SCHEMBL4733770

Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)CN1CCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.51
ALDH1A1 P00352 1/20 0.47
PROKR1 Q8TCW9 1/20 0.47
EGLN1 Q9GZT9 1/20 0.43
KDM1A O60341 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 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
SCHEMBL4734986 0.93 FASN (0.46) FASNALDH1A1PROKR1EGLN1DRD2
SCHEMBL4736930 0.92 POLB (0.52) FASNALDH1A1
SCHEMBL4734565 0.91 FASN (0.45) FASNPROKR1EGLN1DRD2DRD4
SCHEMBL4732754 0.91 GAA (0.54) FASNALDH1A1PROKR1DRD2DRD4
SCHEMBL4780610 0.90 FASN (0.45) FASNPROKR1EGLN1
SCHEMBL4734716 0.88 FASN (0.49) FASNPROKR1EGLN1
SCHEMBL4783350 0.88 FASN (0.47) FASNPROKR1EGLN1
SCHEMBL4734491 0.87 FASN (0.45) FASNPROKR1
SCHEMBL4731303 0.83 FASN (0.46) FASNPROKR1EGLN1
SCHEMBL4731986 0.83 FASN (0.46) 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 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 claimed
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed