SCHEMBL8085463

SCHEMBL8085463

COc1ccccc1N1CCN(CCOc2ccc(-c3cn4ccsc4n3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.67
DRD3 P35462 10/20 0.67
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HTR1A P08908 1/20 0.53
HTR7 P34969 1/20 0.53
LMNA P02545 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NLRP1 Q9C000 1/20 0.51
DRD4 P21917 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 SCHEMBL8091842 0.99 DRD2 (0.66) DRD2DRD3MAPTSMN1; SMN2NPC1
SCHEMBL8085595 0.96 DRD2 (0.73) DRD2DRD3MAPTSMN1; SMN2HTR1A
SCHEMBL29608207 0.95 DRD2 (0.74) DRD2DRD3MAPTSMN1; SMN2HTR1A
SCHEMBL8085582 0.95 DRD2 (0.74) DRD2DRD3MAPTSMN1; SMN2HTR1A
Hydrochloric Acid SCHEMBL8091856 0.94 DRD2 (0.73) DRD2DRD3MAPTSMN1; SMN2HTR1A
SCHEMBL8091846 0.84 DRD2 (0.91) DRD2DRD3SMN1; SMN2NPC1NFKB1
SCHEMBL8091832 0.83 DRD2 (0.70) DRD2DRD3MAPTSMN1; SMN2NPC1
SCHEMBL29543927 0.82 DRD3 (0.56) DRD2DRD3HTR1AHTR7
SCHEMBL8086599 0.80 DRD3 (1.00) DRD2DRD3HTR1AHTR7SLC6A2
SCHEMBL8086744 0.79 DRD2 (0.62) DRD2DRD3MAPTSMN1; SMN2LMNA

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