SCHEMBL9510465

SCHEMBL9510465

C[N]C1COc2c(ccc3ccccc23)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 2/20 0.37
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9507940 0.88 GAA (0.40) GAAL3MBTL1TAAR1KDM4EMAPT
SCHEMBL9671962 0.73 NISCH (0.44) HTR1A
SCHEMBL9510461 0.73 GAA (0.38) GAAL3MBTL1KDM4ECYP19A1CYP2C19
SCHEMBL9385171 0.73 SLC6A2 (0.41) GAAL3MBTL1CYP19A1HTR1AHTR7
SCHEMBL9383431 0.72 HTR6 (0.48) KDM4EALDH1A1
SCHEMBL3073151 0.68 ITGB2 (0.46) GAAL3MBTL1KDM4EMAPTCYP19A1
SCHEMBL403982 0.68 BAD (0.49) L3MBTL1KDM4EMAPTCYP2C19CYP1A2
SCHEMBL30400843 0.68 BAD (0.49) L3MBTL1KDM4EMAPTCYP2C19CYP1A2
SCHEMBL10432246 0.67 L3MBTL1 (0.40) GAAL3MBTL1TAAR1KDM4EMAPT
SCHEMBL8123944 0.64 CYP19A1 (0.43) GAAL3MBTL1KDM4EMAPTCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564520-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-13 EP disclosed
WO-1992011011-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-09 WO disclosed
EP-0492021-A1 Use of certain 1,2-benzoisothiazol-3(2H)-1,1-dioxide derivatives in the treatment of depression and mania MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed