SCHEMBL4796218

SCHEMBL4796218

COc1ccc(C2CCN(C(=O)c3cc(N)c(C)cc3C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 11/20 0.54
HSD11B1 P28845 1/20 0.54
TRPC6 Q9Y210 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL4731334 0.86 FASN (0.63) FASNHSD11B1TRPC6ALDH1A1POLB
SCHEMBL4170797 0.83 FASN (0.68) FASN
SCHEMBL14210111 0.77 FASN (0.48) FASNHSD11B1TRPC6ALDH1A1POLB
SCHEMBL4735661 0.76 SLC9A1 (0.57) FASNHSD11B1TRPC6ALDH1A1POLB
SCHEMBL14412855 0.76 HSD11B1 (0.56) FASNHSD11B1TRPC6ALDH1A1POLB
SCHEMBL4735697 0.74 LMNA (0.51) FASNHSD11B1ALDH1A1LMNAPARP10
SCHEMBL94625 0.74 HSD11B1 (0.70) FASNHSD11B1ALDH1A1POLBGAA
SCHEMBL4736927 0.74 FASN (0.58) FASNHSD11B1ALDH1A1LMNA
SCHEMBL8322126 0.74 QDPR (0.63) FASNHSD11B1ALDH1A1POLBGAA
SCHEMBL2636579 0.74 HSD11B1 (0.61) HSD11B1TRPC6ALDH1A1POLBGAA

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