SCHEMBL8086599

SCHEMBL8086599

COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 1.00
DRD2 P14416 13/20 1.00
HTR1A P08908 3/20 0.76
HTR7 P34969 2/20 0.76
HRH3 Q9Y5N1 1/20 0.69
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
DRD4 P21917 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59

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
SCHEMBL8086583 0.97 DRD2 (1.00) DRD3DRD2HTR1AHTR7HRH3
SCHEMBL8091846 0.95 DRD2 (0.91) DRD3DRD2HTR1AHTR7HRH3
SCHEMBL8078634 0.87 DRD2 (0.77) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL8091851 0.85 DRD2 (0.78) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL8085595 0.85 DRD2 (0.73) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL8091832 0.83 DRD2 (0.70) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL8085582 0.82 DRD2 (0.74) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL29608207 0.82 DRD2 (0.74) DRD3DRD2HTR1AHTR7SLC6A2
SCHEMBL5261357 0.82 HRH3 (1.00) DRD3DRD2HTR1AHTR7HRH3
Hydrochloric Acid SCHEMBL8091856 0.81 DRD2 (0.73) DRD3DRD2HTR1AHTR7SLC6A2

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-6103724-A EXHIBIT MAINLY ANTIPSYCHOTIC EFFECTS, E.G., SCHIZOPHRENIA, ORGANIC MENTAL DISORDERS, AFFECTIVE DISORDERS, ANXIETY, PERSONALITY DISORDERS; NEUROLEPTIC ACTIVITIY; ATYPICAL ANTIPSYCHOTICS, COGNITION ACTIVATORS, ANTIDEPRESSANTS; RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2000-08-15 US disclosed
EP-0935599-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-08-18 EP disclosed
WO-1998018797-A1 2-METHOXYPHENYLPIPERAZINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-05-07 WO disclosed