SCHEMBL4784490

SCHEMBL4784490

COc1ccc(C2CCN(C(=O)c3ccc(C(F)(F)F)c(NC(=O)c4ccc(Cl)nc4)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 13/20 0.56
PRSS12 P56730 1/20 0.49
EPHX2 P34913 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
SLC9A1 P19634 1/20 0.45
HSD11B1 P28845 1/20 0.44
SFRP1 Q8N474 1/20 0.43
FPR1 P21462 1/20 0.43
FPR2 P25090 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
SCHEMBL4734871 0.89 FASN (0.48) FASNPRSS12EGLN1SLC9A1HSD11B1
SCHEMBL4784807 0.88 FASN (0.70) FASNPRSS12
SCHEMBL4733251 0.83 FASN (0.64) FASNPRSS12
SCHEMBL4736927 0.82 FASN (0.58) FASNPRSS12EGLN1HSD11B1FPR1
SCHEMBL4733280 0.82 FASN (0.69) FASNEGLN1
SCHEMBL4783131 0.81 FASN (0.61) FASNPRSS12
SCHEMBL4731407 0.80 FASN (0.71) FASN
SCHEMBL4736239 0.79 FASN (0.74) FASN
SCHEMBL4737584 0.79 FASN (0.74) FASN
SCHEMBL4785982 0.78 FASN (0.58) FASNPRSS12HSD11B1

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