SCHEMBL4672856

SCHEMBL4672856

CN1CC=C(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.72
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
HTR1A P08908 1/20 0.63
ALOX15 P16050 1/20 0.63
HTR6 P50406 1/20 0.63
HSD17B10 Q99714 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL7867998 0.90 SLC6A4 (0.63) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4673448 0.84 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL13323539 0.83 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL18324812 0.83 TDO2 (0.67) SLC6A4
SCHEMBL18324892 0.83 MAPT (0.52) SLC6A4LMNA
Bromide SCHEMBL7867371 0.82 SLC6A4 (0.97) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL4673516 0.82 SLC6A4 (0.75) SLC6A4
SCHEMBL1275594 0.81 SLC6A4 (1.00) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL5367487 0.81 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL7479356 0.81 SLC6A4 (0.76) SLC6A4KDM4ELMNAPOLBHTR1A

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 3 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
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