SCHEMBL7096733

SCHEMBL7096733

CN(C)CCN(C)c1ccccc1C=C1CN(c2ccc(Cl)c(Cl)c2)CCS1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 3/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NOTUM Q6P988 1/20 0.31
ADRB1 P08588 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
KCNH2 Q12809 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL5606377 0.79 HTR2A (0.38) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL5606375 0.79 HTR2A (0.38) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL8558213 0.76 MAPT (0.40) DRD2DRD4DRD3DRD1DRD5
SCHEMBL6466632 0.74 HTR2A (0.40) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL6466626 0.74 HTR2A (0.40) DRD2DRD3HTR2AHTR2CSLC6A2
SCHEMBL6254049 0.72 LMNA (0.39) DRD2DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL5598374 0.72 SLC6A2 (0.32) NOTUMADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL22411187 0.72 SIGMAR1 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22410973 0.69 SLC6A2 (0.36) ADRB1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22410972 0.69 SLC6A2 (0.36) ADRB1SLC6A2SLC6A4SLC6A3CYP2D6

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
EP-1339696-A1 BENZYL(IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-09-03 EP disclosed
WO-2002046167-A1 BENZYL (IDENE)-LACTAMS AND THEIR USE AS 5HT1-RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2002-06-13 WO disclosed