SCHEMBL4784787

SCHEMBL4784787

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4cccc(Cl)c4)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.55
FASN P49327 8/20 0.53
MGLL Q99685 3/20 0.51
HSD11B1 P28845 1/20 0.50
GRM5 P41594 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 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
SCHEMBL4734229 0.91 FASN (0.54) PRSS12FASNHSD11B1LMNAPOLB
SCHEMBL4735653 0.90 HSD11B1 (0.60) PRSS12FASNHSD11B1LMNAALDH1A1
SCHEMBL4735855 0.87 FASN (0.57) PRSS12FASNHSD11B1LMNAALDH1A1
SCHEMBL4732869 0.87 FASN (0.55) PRSS12FASNMGLLHSD11B1LMNA
SCHEMBL4785982 0.87 FASN (0.58) PRSS12FASNHSD11B1LMNAPOLB
SCHEMBL4737762 0.85 HSD11B1 (0.57) PRSS12FASNHSD11B1LMNAALDH1A1
SCHEMBL4736480 0.85 FASN (0.68) PRSS12FASNHSD11B1LMNAPOLB
SCHEMBL4784807 0.85 FASN (0.70) PRSS12FASN
SCHEMBL4854545 0.85 FASN (0.55) PRSS12FASNHSD11B1LMNAALDH1A1
SCHEMBL4784416 0.85 FASN (0.63) PRSS12FASNHSD11B1LMNAALDH1A1

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 claimed