SCHEMBL6219375

SCHEMBL6219375

O=S(=O)(Cl)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.71
ACHE P22303 2/20 0.59
CCR3 P51677 1/20 0.57
SIGMAR1 Q99720 2/20 0.57
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD2 P14416 2/20 0.55
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
BCHE P06276 1/20 0.53
BACE1 P56817 1/20 0.53
HTT P42858 1/20 0.52
HTR2C P28335 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL27773273 0.85 HTR2A (0.69) HTR2AACHECCR3SIGMAR1RECQL
SCHEMBL8551473 0.83 HTR2A (0.68) HTR2AACHECCR3SIGMAR1RECQL
Hydrochloric Acid SCHEMBL8552504 0.82 HTR2A (0.66) HTR2AACHECCR3SIGMAR1RECQL
SCHEMBL28160815 0.80 CCR3 (0.63) HTR2AACHECCR3SIGMAR1RECQL
SCHEMBL4257757 0.80 ACHE (0.69) HTR2AACHECCR3SIGMAR1DRD2
SCHEMBL6335815 0.79 HTT (0.67) HTR2AACHESIGMAR1RECQLSMN1; SMN2
SCHEMBL4924760 0.79 HTR2A (0.61) HTR2AACHECCR3SIGMAR1RECQL
SCHEMBL10800201 0.78 HTR2A (0.83) HTR2AACHECCR3RECQLSMN1; SMN2
SCHEMBL8315434 0.77 ACHE (0.71) HTR2AACHECCR3SIGMAR1DRD2
SCHEMBL22433373 0.77 SMN1; SMN2 (0.46) HTR2ASMN1; SMN2HTR2CKCNH2MEN1

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-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
WO-2004091549-A2 PROCESS FOR MAKING ALPHA-SUBSTITUTED HYDROXAMIC ACIDS PHARMACIA CORPORATION (US) 2004-10-28 WO disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed