SCHEMBL4574829

SCHEMBL4574829

C=[C]C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1896874 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL5524670 0.77
SCHEMBL7089526 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL20267072 0.76 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL9056224 0.73 SMN1; SMN2 (0.50) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL4235 0.72
SCHEMBL2899860 0.71 MEN1 (0.80) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL786679 0.71 SMN1; SMN2 (0.59) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL18946094 0.70 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL11741744 0.69 MEN1 (0.85) SMN1; SMN2CA12CA1CA9MEN1

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-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed