SCHEMBL4732879

SCHEMBL4732879

CC(=O)Nc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
NPBWR1 P48145 1/20 0.61
MCHR1 Q99705 1/20 0.61
CYP2C19 P33261 3/20 0.58
CYP2C9 P11712 2/20 0.58
HTR2B P41595 2/20 0.58
MAPK14 Q16539 2/20 0.58
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
MGLL Q99685 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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
SCHEMBL7238932 0.83 POLB (0.68) SMN1; SMN2HTTMEN1KMT2ANPSR1
SCHEMBL4737601 0.83 FASN (0.59) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL7231708 0.82 FAAH (0.62) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL4736936 0.82 KDM4E (0.72) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL4731259 0.81 SMN1; SMN2 (0.54) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL10242022 0.81 MEN1 (0.71) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL7238877 0.81 CYP2C9 (0.67) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL10719972 0.79 HTT (0.78) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL4732268 0.79 FASN (0.59) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL29941294 0.79 HTT (0.69) SMN1; SMN2HTTALDH1A1MEN1KMT2A

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