SCHEMBL8157677

SCHEMBL8157677

CC1(C)Cc2c(N3CCN(CCCN4CCN(C5CCCCC5)C4=O)CC3)ccc(Cl)c2O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ADRA1B P35368 3/20 0.36
HTR1A P08908 3/20 0.36
ADRA1A P35348 2/20 0.35

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
SCHEMBL8306321 0.82 HTR1A (0.47) DRD2DRD4DRD3HTR1A
SCHEMBL6766552 0.80 HTR1A (0.47) ADRA1BHTR1A
Oxalic Acid SCHEMBL8157336 0.79 HTR1A (0.44) DRD2DRD4DRD3HTR1A
SCHEMBL8306292 0.79 HTR1A (0.47) DRD2DRD3HTR1A
SCHEMBL8305321 0.77 ADRA1B (0.38) DRD2DRD4DRD3ADRA1BHTR1A
SCHEMBL8142921 0.75 HTR1A (0.49) ADRA1BHTR1AADRA1A
Oxalic Acid SCHEMBL8153432 0.75 HTR1A (0.44) DRD2DRD4DRD3HTR1A
Oxalic Acid SCHEMBL8148211 0.74 FFAR4 (0.38) DRD2DRD4DRD3ADRA1BHTR1A
SCHEMBL8156185 0.72 SIGMAR1 (0.35) DRD3
SCHEMBL8145971 0.72 ADRA1B (0.34) DRD2DRD4DRD3ADRA1BHTR1A

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-6140331-A FOR TREATING ANXIETY DISORDERS, DEPRESSION, PSYCHOSIS, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, ISCHAEMIC DISEASES, CARDIOVASCULAR DISORDERS, SIDE EFFECTS INDUCED BY CONVENTIONAL ANTIPSYCHOTIC AGENTS AND SENILE DEMENTIA H. LUNDBECK A/S (DK) 2000-10-31 US disclosed