SCHEMBL8645472

SCHEMBL8645472

O=C1CN(C(CCN2CCOCC2)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD3 P35462 2/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Hydrochloric Acid SCHEMBL8645489 0.99 DRD2 (0.42) DRD2DRD3DRD4DRD5HTR1A
SCHEMBL8644541 0.92 ACHE (0.46) DRD2DRD3DRD4DRD5HTR1A
Hydrochloric Acid SCHEMBL8646984 0.91 ACHE (0.46) DRD2DRD3DRD4DRD5HTR1A
SCHEMBL8644873 0.84 DRD2 (0.48) DRD2DRD3DRD4DRD5HTR1A
SCHEMBL8643783 0.81 TDP1 (0.43) DRD2DRD3DRD4DRD5HTR1A
Hydrochloric Acid SCHEMBL8648190 0.80 TDP1 (0.43) DRD2DRD3DRD4DRD5HTR1A
SCHEMBL8651129 0.79 TDP1 (0.42) DRD2DRD3DRD4DRD5HTR1A
Hydrochloric Acid SCHEMBL8644143 0.78 TDP1 (0.41) DRD2DRD3DRD4DRD5HTR1A
Fumaric Acid SCHEMBL8646610 0.78 DRD2 (0.43) DRD2DRD3DRD4DRD5HTR1A
SCHEMBL8644361 0.75 TDP1 (0.51) KMT2AMEN1TDP1MAPTCA12

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
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed