SCHEMBL9668366

SCHEMBL9668366

COc1ccc(CCN2CCC[C@@H](N=S(=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
SIGMAR1 Q99720 2/20 0.47
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
ADAM17 P78536 1/20 0.45
CHRM3 P20309 1/20 0.44
SMPD1 P17405 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
FKBP1A P62942 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL9668361 1.00 HRH3 (0.50) HRH3SIGMAR1MMP1MMP9MMP13
SCHEMBL9669926 0.86 HTR2A (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL9669966 0.78 ALDH1A1 (0.47) HRH3SIGMAR1ALDH1A1POLBTSHR
SCHEMBL9208592 0.75 HTR1A (0.50) SIGMAR1
SCHEMBL9753177 0.75 HRH3 (0.53) HRH3ALDH1A1POLBTSHRFKBP1A
SCHEMBL9753176 0.75 HRH3 (0.53) HRH3ALDH1A1POLBTSHRFKBP1A
SCHEMBL7252710 0.74 CARM1 (0.60) HRH3SIGMAR1
SCHEMBL27370022 0.74 HRH3 (0.58) HRH3SIGMAR1
Bromide SCHEMBL7247424 0.73 CARM1 (0.59) HRH3SIGMAR1
SCHEMBL4806889 0.72 HRH3 (0.66) HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509005-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-21 EP claimed
WO-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO claimed
EP-0509005-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-21 EP disclosed
WO-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed