SCHEMBL7485121

SCHEMBL7485121

COc1ccc(C(=O)n2cc(C3=CCN(C)CC3)c3cc(OC4CCCCC4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
SLC6A4 P31645 1/20 0.44
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
ACHE P22303 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C4 P17516 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C2 P52895 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL7483235 0.92 HTR6 (0.53) HTR6SLC6A4AKR1C3
SCHEMBL7477833 0.85 HTR6 (0.48) HTR6SLC6A4
SCHEMBL7486082 0.84 HTR6 (0.49) HTR6SLC6A4PDE4B
SCHEMBL7490646 0.84 HTR6 (0.59) HTR6SLC6A4AKR1C3AKR1C2
SCHEMBL7490788 0.83 HTR6 (0.56) HTR6SLC6A4AKR1C3AKR1C4PTGS1
SCHEMBL4676835 0.82 HTR6 (0.60) HTR6SLC6A4PDE4BPDE4D
SCHEMBL7479822 0.81 HTR6 (0.80) HTR6SLC6A4ACHE
SCHEMBL7485130 0.78 HTR6 (0.59) HTR6SLC6A4
SCHEMBL7490243 0.76 HTR6 (0.56) HTR6SLC6A4AKR1C3AKR1C2
SCHEMBL4670954 0.76 HTR6 (0.56) 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