SCHEMBL8090037

SCHEMBL8090037

COc1ccccc1N1CCN(CCCOc2ccc(-c3cc4ccccn4c3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.68
DRD3 P35462 11/20 0.68
HRH3 Q9Y5N1 1/20 0.68
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 1/20 0.59
NLRP1 Q9C000 1/20 0.59
ADRA1A P35348 1/20 0.57
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55
HTR2A P28223 1/20 0.55

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 SCHEMBL8086718 0.99 DRD2 (0.67) DRD2DRD3HRH3SLC6A2SLC6A4
SCHEMBL8086622 0.97 DRD2 (0.69) DRD2DRD3HRH3SLC6A2SLC6A4
SCHEMBL8086604 0.95 DRD2 (0.61) DRD2DRD3HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8078633 0.94 DRD2 (0.61) DRD2DRD3HRH3SLC6A2SLC6A4
SCHEMBL4295620 0.81 HRH3 (1.00) HRH3
SCHEMBL8086599 0.81 DRD3 (1.00) DRD2DRD3HRH3SLC6A2SLC6A4
SCHEMBL3616642 0.80 DRD2 (0.72) DRD2DRD3SLC6A2SLC6A4LMNA
SCHEMBL246381 0.80 LMNA (0.76) DRD2DRD3SLC6A2SLC6A4LMNA
SCHEMBL8086583 0.79 DRD2 (1.00) DRD2DRD3HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11846622 0.78 LMNA (0.93) 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 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