SCHEMBL8078634

SCHEMBL8078634

COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4cccnc4n3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.77
DRD3 P35462 12/20 0.77
HTR1A P08908 1/20 0.59
HTR7 P34969 1/20 0.59
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
NLRP1 Q9C000 1/20 0.56
DRD4 P21917 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
DRD1 P21728 1/20 0.54
HTR2A P28223 1/20 0.54

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
SCHEMBL8091851 0.97 DRD2 (0.78) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8091832 0.95 DRD2 (0.70) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8086599 0.87 DRD3 (1.00) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8086583 0.85 DRD2 (1.00) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8085595 0.83 DRD2 (0.73) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8091846 0.83 DRD2 (0.91) DRD2DRD3HTR1AHTR7ALDH1A1
SCHEMBL8085582 0.81 DRD2 (0.74) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL29608207 0.81 DRD2 (0.74) DRD2DRD3HTR1AHTR7SLC6A2
Hydrochloric Acid SCHEMBL8091856 0.80 DRD2 (0.73) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8085602 0.79 DRD2 (0.68) DRD2DRD3SLC6A2SLC6A4LMNA

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