SCHEMBL4744859

SCHEMBL4744859

CN1CCOc2cc([S+]([O-])n3cc(N4CCNCC4)c4ccccc43)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ADRB1 P08588 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
HTR6 P50406 7/20 0.33
LCK P06239 1/20 0.33
TNK2 Q07912 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
NCF1 P14598 2/20 0.33
ADRB2 P07550 1/20 0.33
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32

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
SCHEMBL4687638 0.81 GBA1 (0.36) TRPM5NOTUMCYP11B1CYP11B2ADRB1
SCHEMBL3339265 0.77 HTR6 (0.51) PTGES2HTR6GBA1CYP2D6
SCHEMBL3644217 0.69 HTR6 (0.62) HTR6HTR1AHTR2A
SCHEMBL3339496 0.68 GBA1 (0.49) NOTUMPTGES2HTR6SCN5ASCN9A
SCHEMBL22753608 0.67 HTR6 (0.63) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL4741748 0.66 CYP11B1 (0.34) TRPM5CYP11B1CYP11B2PTGES2HTR6
SCHEMBL3622199 0.65 HTR6 (0.43) PTGES2HTR6SCN5ASCN9AGBA1
SCHEMBL3640843 0.64 HTR6 (0.63) HTR6HTR1AHTR2A
SCHEMBL22753668 0.60 HTR6 (0.62) ADRB1HTR6HTR3EHTR3BHTR3A
SCHEMBL12107337 0.60 AR (0.42) NOTUMCYP11B1CYP11B2ADRB1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 WO disclosed