SCHEMBL9858674

SCHEMBL9858674

CN(C)C1CCc2cccc(C=S(=O)=O)c2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.57
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1D P28221 5/20 0.46
HTR1B P28222 4/20 0.46
HTR1A P08908 10/20 0.44
HTR7 P34969 10/20 0.44

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 SCHEMBL9858320 0.99 CHRM3 (0.56) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL6542148 0.84 CHRM3 (0.61) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL8877360 0.81 CHRM3 (0.61) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL14591308 0.74 CHRM3 (0.69) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9200347 0.74 CHRM3 (0.59) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL5361640 0.73 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4
Hydrochloric Acid SCHEMBL6542162 0.73 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL6540873 0.73 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL8891132 0.73 CHRM3 (1.00) CHRM3CHRM2CHRM1DRD2DRD3
SCHEMBL9200359 0.73 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447727-A1 Novel 8-sulfamylmethylene-2-amino tetralins MERRELL DOW PHARMACEUTICALS INC. (US) 1991-09-25 EP disclosed