SCHEMBL4732268

SCHEMBL4732268

Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.59
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
ADRA1A P35348 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
SCHEMBL4735643 0.91 FASN (0.58) FASNALDH1A1MAPT
SCHEMBL4734984 0.88 FASN (0.73) FASNALDH1A1
SCHEMBL4783035 0.85 FASN (0.65) FASN
SCHEMBL4737601 0.85 FASN (0.59) FASNALDH1A1MEN1KMT2AGAA
SCHEMBL14210096 0.84 FASN (0.55) FASNALDH1A1KDM4EMAPTHPGD
SCHEMBL4731259 0.83 SMN1; SMN2 (0.54) FASNALDH1A1MEN1KMT2AGAA
SCHEMBL4782078 0.80 MAPK14 (0.56) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL4737589 0.80 FASN (0.67) FASNALDH1A1
SCHEMBL4734907 0.80 FASN (0.71) FASN
SCHEMBL19396043 0.80 FASN (0.85) 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 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