SCHEMBL4734340

SCHEMBL4734340

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.53
MAPK7 Q13164 6/20 0.50
PRSS12 P56730 1/20 0.49
HSD11B1 P28845 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL4735855 0.90 FASN (0.57) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4734917 0.89 FASN (0.55) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4735653 0.89 HSD11B1 (0.60) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4736480 0.88 FASN (0.68) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4737762 0.86 HSD11B1 (0.57) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4734229 0.84 FASN (0.54) FASNPRSS12HSD11B1MEN1KMT2A
SCHEMBL4175936 0.83 FASN (0.54) FASNMAPK7HSD11B1EGLN1
SCHEMBL4784787 0.83 PRSS12 (0.55) FASNPRSS12HSD11B1
SCHEMBL4784807 0.82 FASN (0.70) FASNPRSS12
SCHEMBL4784416 0.82 FASN (0.63) FASNPRSS12HSD11B1MEN1KMT2A

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