SCHEMBL6766552

SCHEMBL6766552

CC1(C)Cc2cccc(N3CCN(CCCCN4CCN(C5CCCCC5)C4=O)CC3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
SLC6A4 P31645 1/20 0.47
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL8306292 0.98 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4GRIN1
SCHEMBL8306321 0.98 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4GRIN1
Oxalic Acid SCHEMBL8153432 0.94 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4SMN1; SMN2
Oxalic Acid SCHEMBL8157336 0.94 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4SMN1; SMN2
SCHEMBL8142921 0.94 HTR1A (0.49) HTR1AHTR1DHTR1BSLC6A4SMN1; SMN2
SCHEMBL8156185 0.86 SIGMAR1 (0.35) GRIN1GRIN2B
SCHEMBL8305321 0.86 ADRA1B (0.38) HTR1AHTR1DHTR1BSLC6A4ADRA1B
Oxalic Acid SCHEMBL8148211 0.82 FFAR4 (0.38) HTR1AHTR1DHTR1BSLC6A4ADRA1B
SCHEMBL8149460 0.81 PARP1 (0.36) HTR1AGRIN1GRIN2B
SCHEMBL8148403 0.80 HTR1A (0.57) HTR1A

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 6 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-20040023948-A1 Fast-dispersing dosage form containing 5-HT1 agonists CATALENT USA PAINTBALL, INC. 2004-02-05 US disclosed
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
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed