SCHEMBL9507940

SCHEMBL9507940

C[N]C1COc2ccc3ccccc3c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 2/20 0.40
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
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
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9510465 0.88 GAA (0.38) GAAL3MBTL1CYP19A1TAAR1KDM4E
SCHEMBL27127079 0.80 GAA (0.43) GAAL3MBTL1CYP19A1TAAR1KDM4E
SCHEMBL10432246 0.76 L3MBTL1 (0.40) GAAL3MBTL1CYP19A1TAAR1KDM4E
SCHEMBL9671962 0.73 NISCH (0.44) HTR1AHTT
SCHEMBL9507937 0.73 CYP19A1 (0.43) GAAL3MBTL1CYP19A1CYP2C19HTR1A
SCHEMBL9507945 0.73 CYP19A1 (0.43) GAAL3MBTL1CYP19A1ALDH1A1CYP2C19
SCHEMBL8123944 0.73 CYP19A1 (0.43) GAAL3MBTL1CYP19A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8131705 0.71 HTR6 (0.47) CYP19A1KDM4EALDH1A1HTR1A
SCHEMBL9770197 0.68 TDP1 (0.49) CYP19A1ALDH1A1CYP3A4HTR1ASMN1; SMN2
SCHEMBL30400843 0.68 BAD (0.49) L3MBTL1KDM4EMAPTMEN1KMT2A

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