SCHEMBL6502583

SCHEMBL6502583

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccccc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
DRD5 P21918 2/20 0.46
HTR6 P50406 4/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CHRNA7 P36544 2/20 0.42

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) LMNAPOLBHTR6ALDH1A1MAPT
SCHEMBL6511504 0.91 DRD2 (0.52) LMNAPOLBALDH1A1MAPTDRD3
SCHEMBL6500880 0.91 LMNA (0.51) LMNAPOLBDRD1DRD5HTR6
SCHEMBL6510748 0.91 HTR6 (0.46) POLBHTR6ALDH1A1PKMHPGD
SCHEMBL6501509 0.90 HTR6 (0.46) LMNAPOLBHTR6ALDH1A1MAPT
SCHEMBL6509242 0.90 MAOB (0.54) LMNAHTR6PKMMAPTHTR2A
SCHEMBL6504564 0.90 HTR6 (0.54) LMNADRD4HTR6MAPTDRD3
SCHEMBL6506073 0.89 LMNA (0.44) LMNAPOLBDRD1DRD4DRD5
SCHEMBL6500166 0.89 HTR1A (0.43) LMNADRD1DRD4DRD5HTR6
Hydrochloric Acid SCHEMBL6504357 0.89 MAOB (0.53) LMNAHTR6PKMMAPTHTR2A

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