SCHEMBL7488659

SCHEMBL7488659

CN1CC=C(c2cn(C(=O)c3ccccc3)c3ccc(Br)cc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.77
DYRK1A Q13627 1/20 0.51
SLC6A4 P31645 1/20 0.48
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42

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
SCHEMBL7486086 0.92 HTR6 (0.77) HTR6DYRK1ASLC6A4NOS3NOS1
SCHEMBL4674250 0.88 HTR6 (0.77) HTR6SLC6A4NOS3NOS1
Hydrochloric Acid SCHEMBL7491134 0.88 HTR6 (0.77) HTR6SLC6A4NOS3NOS1
SCHEMBL7486314 0.87 HTR6 (1.00) HTR6DYRK1ASLC6A4
SCHEMBL7485222 0.85 HTR6 (0.72) HTR6NOS3NOS1
Hydrochloric Acid SCHEMBL7482148 0.85 HTR6 (0.72) HTR6NOS3NOS1
SCHEMBL7477820 0.82 HTR6 (0.68) HTR6
SCHEMBL7489435 0.82 HTR6 (0.61) HTR6SLC6A4
SCHEMBL7485130 0.80 HTR6 (0.59) HTR6SLC6A4
SCHEMBL7484905 0.79 HTR6 (0.83) 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 5 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
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