SCHEMBL7201600

SCHEMBL7201600

CN1CCN(c2ccc(Br)c(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.73
HTR6 P50406 11/20 0.67
HTR2C P28335 9/20 0.67
HTR2A P28223 7/20 0.67
DRD3 P35462 7/20 0.67
HTR1A P08908 6/20 0.67
HTR7 P34969 5/20 0.67
HTR3A P46098 1/20 0.54
GHSR Q92847 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD4 P21917 1/20 0.50
DRD2 P14416 1/20 0.48

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
SCHEMBL7089949 0.81 HTR2C (1.00) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL7084057 0.80 HTR6 (0.67) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL6002185 0.73 HTR3A (1.00) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL3613608 0.72 MAPT (0.65) RAD52HTR6ALDH1A1MAPTKMT2A
SCHEMBL3618341 0.71 RAD52 (0.64) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL3619818 0.71 HTR6 (0.58) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL3622711 0.71 RAD52 (0.55) RAD52HTR6HTR2CHTR2ADRD3
Hydrochloric Acid SCHEMBL3619845 0.70 RAD52 (0.65) RAD52HTR6HTR2CHTR2ADRD3
Hydrochloric Acid SCHEMBL3611361 0.70 RAD52 (0.56) RAD52HTR6HTR2CHTR2ADRD3
SCHEMBL3625538 0.70 RAD52 (0.54) RAD52HTR6HTR2CHTR2ADRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed