SCHEMBL6500880

SCHEMBL6500880

COc1ccc(N2CCN(c3ccc(S(=O)(=O)c4cc5c(cc4OC)CCN(C)CC5)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 2/20 0.51
HTR6 P50406 1/20 0.51
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD11B1 P28845 1/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL6507562 0.91 MAPT (0.57) LMNAHTR6POLBMAPTL3MBTL1
SCHEMBL6502583 0.91 LMNA (0.48) LMNATSHRPKMHTR6POLB
SCHEMBL6510748 0.91 HTR6 (0.46) PKMHTR6POLBMAPK1HSD11B1
SCHEMBL6509242 0.90 MAOB (0.54) LMNATSHRPKMHTR6HSD11B1
SCHEMBL6504564 0.90 HTR6 (0.54) LMNATSHRHTR6HSD11B1MAPT
Hydrochloric Acid SCHEMBL6504357 0.89 MAOB (0.53) LMNATSHRPKMHTR6HSD11B1
SCHEMBL6511504 0.87 DRD2 (0.52) LMNATSHRSMN1; SMN2POLBMAPK1
SCHEMBL6508620 0.87 MAPT (0.49) LMNATSHRSMN1; SMN2PKMHTR6
SCHEMBL6508601 0.87 TNF (0.48) LMNATSHRSMN1; SMN2POLBMAPT
SCHEMBL6499030 0.87 TNF (0.46) LMNAHTR6MAPTDRD2DRD3

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
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed