SCHEMBL4734565

SCHEMBL4734565

Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)CN1CCC(CO)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 12/20 0.45
DRD4 P21917 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
PROKR1 Q8TCW9 1/20 0.42
CNR1 P21554 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4734986 0.91 FASN (0.46) FASNDRD4DRD2DRD3PROKR1
SCHEMBL4733770 0.91 FASN (0.51) FASNDRD4DRD2DRD3PROKR1
SCHEMBL4732754 0.89 GAA (0.54) FASNDRD4DRD2DRD3PROKR1
SCHEMBL4736930 0.89 POLB (0.52) FASNL3MBTL1
SCHEMBL4780610 0.86 FASN (0.45) FASNPROKR1EGLN1
SCHEMBL4734716 0.85 FASN (0.49) FASNPROKR1CNR1EGLN1
SCHEMBL4734491 0.84 FASN (0.45) FASNPROKR1
SCHEMBL4783350 0.83 FASN (0.47) FASNPROKR1EGLN1
SCHEMBL4734896 0.81 FASN (0.45) FASNPROKR1CNR1EGLN1
SCHEMBL4731303 0.80 FASN (0.46) FASNPROKR1CNR1EGLN1

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