SCHEMBL4784416

SCHEMBL4784416

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cccnc4)c3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.63
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
TSHR P16473 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRSS12 P56730 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
LDLR P01130 1/20 0.49
HSD11B1 P28845 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4736480 0.90 FASN (0.68) FASNKMT2AMEN1POLBPRSS12
SCHEMBL4735653 0.89 HSD11B1 (0.60) FASNKMT2AMEN1ALDH1A1POLB
SCHEMBL4735338 0.87 FASN (0.72) FASN
SCHEMBL4734229 0.86 FASN (0.54) FASNKMT2AMEN1POLBPRSS12
SCHEMBL4735855 0.86 FASN (0.57) FASNRAB9AKMT2AMEN1NPC1
SCHEMBL4784807 0.86 FASN (0.70) FASNPRSS12
SCHEMBL4784787 0.85 PRSS12 (0.55) FASNALDH1A1POLBSMN1; SMN2PRSS12
SCHEMBL4795081 0.85 FASN (0.66) FASNPRSS12HSD11B1
SCHEMBL4737762 0.85 HSD11B1 (0.57) FASNKMT2AMEN1ALDH1A1POLB
SCHEMBL4735650 0.84 FASN (0.61) FASN

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