SCHEMBL4673580

SCHEMBL4673580

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.71
HTR1D P28221 4/20 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
HTR1A P08908 3/20 0.65
HTR1F P30939 2/20 0.65
OPRM1 P35372 2/20 0.64
OPRK1 P41145 2/20 0.64
OPRL1 P41146 2/20 0.64
APP P05067 1/20 0.63
SLC6A4 P31645 7/20 0.61
DRD2 P14416 1/20 0.60
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 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
SCHEMBL30877857 0.92 KDM4E (0.67) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL29206549 0.92 KDM4E (0.67) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
Bromide SCHEMBL7870891 0.87 DRD2 (0.73) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7867314 0.87 DRD2 (0.73) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL27548381 0.85 HTR1B (0.69) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL30877339 0.85 SLC6A4 (0.58) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL7475958 0.84 HTR1D (0.72) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL23010847 0.84 HTR1D (0.72) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL30877197 0.84 SLC6A4 (0.59) HTR1BHTR1DCYP1A2CYP3A4CYP2D6
SCHEMBL8109656 0.83 OPRM1 (0.68) HTR1BHTR1AOPRM1OPRK1OPRL1

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 4 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
CN-1307573-A Indolyl derivatives and serotonergic agents AMERICAN HOME PROD (US) 2001-08-08 CN 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