SCHEMBL7490752

SCHEMBL7490752

CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.78
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A4 P31645 1/20 0.49

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
SCHEMBL4671653 0.90 HTR6 (0.76) HTR6
SCHEMBL4676436 0.88 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL7485051 0.87 HTR6 (0.79) HTR6SLC6A4
SCHEMBL3340516 0.87 HTR6 (0.78) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL3334625 0.87 HTR6 (0.78) HTR6
Hydrochloric Acid SCHEMBL7483924 0.85 HTR6 (0.75) HTR6
SCHEMBL4671290 0.85 HTR6 (0.73) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL13302368 0.85 HTR6 (0.75) HTR6CYP3A4CYP2D6
SCHEMBL3336882 0.85 HTR6 (0.74) HTR6SLC6A4
SCHEMBL3336748 0.85 HTR6 (0.74) HTR6

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-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP claimed
WO-2000063203-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-26 WO claimed
US-6133287-A SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS, E.G., PSYCHOSIS, SCHIZOPHRENIA, MANIC DEPRESSION, DEPRESSION, MEMORY DISTURBANCES, PARKINSONISM, AMYLOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-17 US claimed
EP-1173432-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS Allelix Corp. (CA) 2002-01-23 EP disclosed
WO-2000063203-A1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-26 WO disclosed
US-6133287-A SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS, E.G., PSYCHOSIS, SCHIZOPHRENIA, MANIC DEPRESSION, DEPRESSION, MEMORY DISTURBANCES, PARKINSONISM, AMYLOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-10-17 US disclosed