SCHEMBL9768806

SCHEMBL9768806

CN(C)CCCN1c2ccccc2N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.56
LMNA P02545 7/20 0.56
SLC6A4 P31645 7/20 0.56
HTR1A P08908 7/20 0.56
DRD2 P14416 7/20 0.56
MAPT P10636 6/20 0.56
HRH1 P35367 6/20 0.56
HTR2A P28223 5/20 0.56
HTR6 P50406 5/20 0.56
CHRM2 P08172 5/20 0.56
CHRM1 P11229 5/20 0.56
DRD1 P21728 5/20 0.56
SLC6A2 P23975 5/20 0.56
ADRA1A P35348 5/20 0.56
OPRM1 P35372 5/20 0.56
DRD3 P35462 5/20 0.56
KCNH2 Q12809 5/20 0.56
MTOR P42345 5/20 0.56
SLC22A1 O15245 4/20 0.56
CHRM4 P08173 4/20 0.56

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
SCHEMBL1302641 0.85 LMNA (0.58) CYP2D6LMNASLC6A4HTR1ADRD2
SCHEMBL7805848 0.82 TP53 (0.42) LMNASLC6A4HTR1ADRD2MAPT
Pretiadil SCHEMBL2734627 0.81 SIGMAR1 (0.49) CYP2D6LMNASLC6A4HTR1ADRD2
SCHEMBL7811781 0.76 MEN1 (0.35) LMNASLC6A4MAPTALDH1A1KDM4E
SCHEMBL5153952 0.75 MAPT (0.59) CYP2D6LMNASLC6A4HTR1ADRD2
SCHEMBL9768823 0.74 KDM4E (0.46) LMNAMAPTALDH1A1KDM4ETP53
Hydrochloric Acid SCHEMBL9768695 0.73 KDM4E (0.47) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
Imipramine SCHEMBL17004048 0.72 SLC6A4 (1.00) CYP2D6LMNASLC6A4HTR1ADRD2
Imipramine SCHEMBL6118138 0.72 SLC6A4 (1.00) CYP2D6LMNASLC6A4HTR1ADRD2
Imipramine SCHEMBL34282 0.72 SLC6A4 (1.00) CYP2D6LMNASLC6A4HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US disclosed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP disclosed