SCHEMBL4674422

SCHEMBL4674422

CN1CCC(c2c[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.71
HTR1B P28222 8/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
THPO P40225 1/20 0.71
OPRM1 P35372 1/20 0.65
OPRK1 P41145 1/20 0.65
OPRL1 P41146 1/20 0.65
APP P05067 1/20 0.63
HTR1A P08908 2/20 0.60
HTR1F P30939 1/20 0.60
HTR6 P50406 2/20 0.59
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL7013279 0.89 HTR1D (0.64) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4670916 0.89 APP (0.63) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7866348 0.87 APP (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7481481 0.86 HTR1D (0.60) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8187195 0.86 HTR1D (0.60) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7482190 0.84 CYP1A2 (0.61) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL23010847 0.84 HTR1D (0.72) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL8109749 0.83 OPRM1 (0.62) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL4541253 0.83 HTR1D (0.71) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL3546728 0.83 CYP1A2 (1.00) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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 5 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 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