SCHEMBL8148403

SCHEMBL8148403

O=C1N(CCCCN2CCN(c3cccc4c3OCCO4)CC2)CCN1C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.57
DRD2 P14416 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
SCHEMBL8154891 0.98 HTR1A (0.55) HTR1ADRD2HTR2A
SCHEMBL8151673 0.94
SCHEMBL8156696 0.93
SCHEMBL8150735 0.80 HTR1A (0.44) HTR1ADRD2HTR2A
SCHEMBL6766552 0.80 HTR1A (0.47) HTR1A
SCHEMBL8150191 0.80 HTR1A (0.61) HTR1A
SCHEMBL8306321 0.79 HTR1A (0.47) HTR1ADRD2
SCHEMBL8306292 0.79 HTR1A (0.47) HTR1ADRD2
SCHEMBL8143460 0.77 HTR1A (0.61) HTR1ADRD2HTR2A
SCHEMBL8156077 0.77 HTR1A (0.67) HTR1ADRD2

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
EP-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP claimed
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
EP-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP disclosed