SCHEMBL10019232

SCHEMBL10019232

N#Cc1cccc(OCCCN2CCN(c3cccc4[nH]c(=O)oc34)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.65
SLC6A4 P31645 4/20 0.65
HTR1A P08908 9/20 0.64
HTR2A P28223 1/20 0.52
MCHR1 Q99705 1/20 0.52
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL3400205 0.83 DRD2 (0.69) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL252470 0.82 DRD2 (0.66) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL254963 0.80 DRD2 (0.70) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL16712643 0.80 DRD2 (0.62) DRD2SLC6A4HTR1A
SCHEMBL253667 0.79 DRD2 (0.66) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL3407608 0.79 DRD2 (0.74) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL16702266 0.79 DRD2 (0.61) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL248100 0.79 DRD2 (0.64) DRD2SLC6A4HTR1AHTR2AMCHR1
SCHEMBL29785732 0.78 DRD2 (0.54) DRD2HTR2AHRH1CCR3DRD4
SCHEMBL14564660 0.77 DRD2 (0.56) DRD2SLC6A4HTR1AHTR2AMCHR1

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
US-8101619-B2 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-01-24 US disclosed
US-8101619-B2 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-01-24 US disclosed
EP-1824479-B1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-11-05 EP disclosed