SCHEMBL6980846

SCHEMBL6980846

COc1ccc(N)cc1N1CCN(C2(C=O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
NR4A1 P22736 1/20 0.38
ALDH1A3 P47895 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL1397389 0.76 DRD2 (0.60) ALDH1A1MAPTKDM4ELMNADRD2
SCHEMBL14320628 0.76 MAPT (0.59) ALDH1A1MAPTKDM4ELMNADRD2
SCHEMBL6975324 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNADRD2
SCHEMBL31346993 0.75 MAPT (0.51) ALDH1A1MAPTKDM4ELMNADRD2
Hydrochloric Acid SCHEMBL6345252 0.75 KDM4E (0.59) ALDH1A1MAPTKDM4ELMNADRD2
Hydrochloric Acid SCHEMBL6343779 0.75 KDM4E (0.59) ALDH1A1MAPTKDM4ELMNADRD2
SCHEMBL5701472 0.74 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ELMNANR4A1
SCHEMBL24170260 0.73 DRD2 (0.65) ALDH1A1MAPTKDM4ELMNADRD2
SCHEMBL8984896 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ELMNANR4A1
SCHEMBL10156824 0.72 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNADRD2

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-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
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
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed