SCHEMBL7348271

SCHEMBL7348271

O=C(NCCCCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)=c1ccccc1=2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 17/20 0.64
DRD2 P14416 15/20 0.64
DRD4 P21917 10/20 0.64
ADRA1A P35348 5/20 0.64
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
HTR1A P08908 2/20 0.58
MEN1 O00255 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
KMT2A Q03164 1/20 0.58
ADRA1D P25100 1/20 0.57
ADRA1B P35368 1/20 0.57

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
SCHEMBL7526939 0.91 DRD3 (0.77) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7530035 0.89 DRD3 (0.79) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7531760 0.88 DRD3 (0.63) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7531662 0.87 DRD3 (0.67) DRD3DRD2DRD4ADRA1ASLC6A2
Hydrochloric Acid SCHEMBL7526148 0.87 DRD3 (0.62) DRD3DRD2DRD4ADRA1ASLC6A2
Hydrochloric Acid SCHEMBL7350351 0.81 DRD2 (0.76) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7529338 0.81 DRD2 (0.79) DRD3DRD2DRD4ADRA1ASLC6A4
Hydrochloric Acid SCHEMBL7526532 0.80 DRD2 (0.78) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7528464 0.79 DRD2 (0.79) DRD3DRD2DRD4ADRA1ASLC6A2
SCHEMBL7436346 0.78 DRD2 (1.00) DRD3DRD2DRD4ADRA1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898567-B1 N-AMINOALKYL-1-BIPHENYLENYL-2-CARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2002-04-03 EP claimed
EP-0898567-B1 N-AMINOALKYL-1-BIPHENYLENYL-2-CARBOXAMIDES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2002-04-03 EP disclosed
EP-0898567-A1 NOVEL N-AMINOALKYL-1-BIPHENYLENYL-2-CARBOXAMIDES; NEW DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-03-03 EP disclosed
WO-1997038990-A1 NOVEL N-AMINOALKYL-1-BIPHENYLENYL-2-CARBOXAMIDES; NEW DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-10-23 WO disclosed