SCHEMBL8086744

SCHEMBL8086744

COc1ccccc1N1CCN(CCOc2ccc(-c3cn4c(n3)SCC4)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.62
DRD3 P35462 11/20 0.62
LMNA P02545 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.52
NLRP1 Q9C000 1/20 0.52
DRD4 P21917 2/20 0.52
DRD1 P21728 1/20 0.51
HTR2A P28223 1/20 0.51

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
Hydrochloric Acid SCHEMBL8078625 0.99 DRD2 (0.61) DRD2DRD3LMNASLC6A2SLC6A4
SCHEMBL8085602 0.95 DRD2 (0.68) DRD2DRD3LMNASLC6A2SLC6A4
SCHEMBL8086761 0.95 DRD2 (0.69) DRD2DRD3LMNASLC6A2SLC6A4
SCHEMBL8091846 0.80 DRD2 (0.91) DRD2DRD3ALDH1A1SMN1; SMN2DRD4
SCHEMBL8078654 0.79 MAPT (0.51) DRD2DRD3LMNAALDH1A1SMN1; SMN2
SCHEMBL8085463 0.79 DRD2 (0.67) DRD2DRD3LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8091842 0.79 DRD2 (0.66) DRD2DRD3LMNASLC6A2SLC6A4
SCHEMBL8091832 0.78 DRD2 (0.70) DRD2DRD3LMNASLC6A2SLC6A4
SCHEMBL8086599 0.75 DRD3 (1.00) DRD2DRD3SLC6A2SLC6A4DRD4
SCHEMBL8085595 0.75 DRD2 (0.73) DRD2DRD3LMNASLC6A2SLC6A4

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 1 patent. 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