SCHEMBL9282957

SCHEMBL9282957

COc1ccc2c(N3CCN(CC#N)CC3)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.49
DRD2 P14416 4/20 0.47
MTNR1B P49286 1/20 0.45
DRD3 P35462 3/20 0.44
HTR1A P08908 5/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
DRD1 P21728 2/20 0.44
HRH2 P25021 2/20 0.44
ADRA1D P25100 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
ADRA1A P35348 2/20 0.44
HRH1 P35367 2/20 0.44

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
SCHEMBL9287856 0.90 MTNR1B (0.56) DRD4DRD2MTNR1BDRD3HTR1A
SCHEMBL9287993 0.81 DRD4 (0.53) DRD4DRD2DRD3HTR1ASLC6A2
SCHEMBL1306444 0.78 KCNH2 (0.65) DRD4DRD2HTR1AADRB1KDM4E
SCHEMBL9287590 0.77 HTR1A (0.60) DRD4DRD2MTNR1BDRD3HTR1A
SCHEMBL5366747 0.77 HTR1A (0.60) DRD2DRD3HTR1AADRB1HTR2A
Hydrochloric Acid SCHEMBL9639708 0.76 LMNA (0.61) DRD2DRD3HTR1AADRB1HTR2A
SCHEMBL7149496 0.73 DRD2 (0.62) DRD2HTR1AADRB1HTR2ASIGMAR1
SCHEMBL9204835 0.72 HTR1A (0.59) DRD4DRD2MTNR1BDRD3HTR1A
SCHEMBL9284653 0.72 HTR1A (0.62) DRD4DRD2MTNR1BDRD3HTR1A
SCHEMBL9287039 0.72 HTR1A (0.62) DRD4DRD2MTNR1BDRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434561-B1 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-10-18 EP disclosed
US-5166157-A Analgesics, antidepressants or psychological disorders ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5166156-A Headaches, schizophrenia; stress relieving; analgesics, anxiolytics, antidepressants; hypotensive agents ADIR ET COMPAGNIE (FR) 1992-11-24 US disclosed
US-5162324-A Naphyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5162321-A 1-naphthyl piperazines useful as 5-HT1A receptor ligands ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed
US-5143916-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1992-09-01 US disclosed
EP-0434561-A2 1-Naphthyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1991-06-26 EP disclosed