SCHEMBL7528464

SCHEMBL7528464

COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)=c2ccccc2=3)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.79
DRD3 P35462 11/20 0.79
DRD4 P21917 8/20 0.79
HTR1A P08908 6/20 0.79
ADRA2A P08913 5/20 0.79
ADRA1D P25100 3/20 0.79
ADRA1A P35348 3/20 0.79
ADRA1B P35368 3/20 0.79
DRD1 P21728 2/20 0.79
HTR2A P28223 2/20 0.79
HTR2C P28335 2/20 0.79
HTR2B P41595 2/20 0.79
MEN1 O00255 1/20 0.79
LMNA P02545 1/20 0.79
TP53 P04637 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
TSHR P16473 1/20 0.79
NFKB1 P19838 1/20 0.79

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
Bp-897 SCHEMBL29382551 0.88 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
Bp-897 SCHEMBL30027453 0.88 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL7342827 0.88 DRD2 (0.81) DRD2DRD3DRD4HTR1AADRA2A
Bp-897 SCHEMBL2125882 0.88 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL14761722 0.88 DRD2 (1.00) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL7561768 0.87 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL14761605 0.87 DRD2 (0.98) DRD2DRD3DRD4HTR1AADRA1D
Hydrochloric Acid SCHEMBL7595382 0.87 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA2A
Hydrochloric Acid SCHEMBL7590666 0.87 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA2A
Bp-897 SCHEMBL26086545 0.87 DRD2 (0.96) DRD2DRD3DRD4HTR1AADRA2A

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-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
US-5703083-A THERAPY FOR PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1997-12-30 US disclosed