SCHEMBL4731334

SCHEMBL4731334

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.63
HSD11B1 P28845 1/20 0.60
LMNA P02545 4/20 0.54
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP10 Q53GL7 3/20 0.50
PARP14 Q460N5 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 1/20 0.49
MYC P01106 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
GPR183 P32249 1/20 0.48
GRM3 Q14832 1/20 0.48

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
SCHEMBL4735697 0.88 LMNA (0.51) FASNHSD11B1LMNAALDH1A1MAPT
SCHEMBL4733674 0.88 ALDH1A1 (0.52) FASNLMNAALDH1A1MEN1MAPT
SCHEMBL14209216 0.88 ALDH1A1 (0.52) FASNLMNAALDH1A1HPGD
SCHEMBL4175647 0.87 PARP10 (0.56) FASNLMNAALDH1A1PARP10PARP14
SCHEMBL14210111 0.86 FASN (0.48) FASNHSD11B1LMNAALDH1A1POLB
SCHEMBL4796218 0.86 FASN (0.54) FASNHSD11B1LMNAALDH1A1POLB
SCHEMBL16799271 0.86 HPGD (0.50) FASNLMNAALDH1A1HPGD
SCHEMBL4191753 0.86 PARP10 (0.58) FASNHSD11B1LMNAALDH1A1MEN1
SCHEMBL4197739 0.86 FASN (0.61) FASNALDH1A1MAPTHPGD
SCHEMBL4735211 0.85 CA12 (0.58) FASNHSD11B1LMNAALDH1A1MAPT

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