SCHEMBL4670845

SCHEMBL4670845

CN1CCC(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.64
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
KCNH2 Q12809 3/20 0.50
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
SLC6A2 P23975 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
HRH1 P35367 2/20 0.50
ADRA1B P35368 2/20 0.50
SLC6A3 Q01959 2/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
ABCB1 P08183 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL4670868 0.92 HTR6 (0.64) HTR6HTR1A
SCHEMBL4673061 0.91 HTR6 (0.69) HTR6CYP3A4CYP2D6KCNH2
SCHEMBL7483878 0.89 HTR6 (0.67) HTR6CYP3A4CYP2D6KCNH2HTR1A
SCHEMBL7488549 0.85 HTR6 (0.74) HTR6CYP3A4CYP2D6KCNH2DRD2
SCHEMBL4671213 0.84 HTR6 (0.87) HTR6CYP3A4CYP2D6
SCHEMBL5255117 0.81 HTR6 (0.69) HTR6CYP3A4CYP2D6KCNH2
SCHEMBL7484894 0.81 HTR6 (0.67) HTR6HTR1A
SCHEMBL3339855 0.79 HTR6 (0.54) HTR6KCNH2
SCHEMBL6530539 0.78 HTR6 (1.00) HTR6CYP3A4CYP2D6
SCHEMBL6529782 0.78 HTR6 (1.00) HTR6CYP3A4CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173432-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP claimed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP claimed
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-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP disclosed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP disclosed
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