SCHEMBL6474004

SCHEMBL6474004

O=S1(=O)c2sc(Cl)cc2C=CN1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
DRD2 P14416 5/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR1A P08908 9/20 0.43
HTR7 P34969 9/20 0.43
HTR2A P28223 4/20 0.43
HTR6 P50406 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
HRH1 P35367 1/20 0.42
TMEM97 Q5BJF2 1/20 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
Hydrochloric Acid SCHEMBL5617249 0.99 KCNH2 (0.46) KCNH2DRD2DRD3DRD4DRD5
Hydrochloric Acid SCHEMBL5617307 0.97 CYP2D6 (0.43) KCNH2DRD2DRD3DRD4DRD5
SCHEMBL6473544 0.87 DRD2 (0.48) DRD2DRD3HTR1AHTR7HTR2A
Hydrochloric Acid SCHEMBL5655044 0.86 DRD2 (0.48) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL6483259 0.85 HTR1A (0.51) DRD2DRD3DRD5HTR1AHTR7
Hydrochloric Acid SCHEMBL5617457 0.84 HTR1A (0.51) DRD2DRD3DRD5HTR1AHTR7
Hydrochloric Acid SCHEMBL5617301 0.80 HRH3 (0.34) SIGMAR1HRH1
SCHEMBL7850061 0.76 KCNH2 (0.51) KCNH2DRD2DRD3CYP2D6HTR1A
Hydrochloric Acid SCHEMBL5617435 0.75 DRD2 (0.47) DRD2DRD3DRD5HTR1AHTR7
SCHEMBL14383290 0.74 CHRM1 (0.55) KCNH2DRD2DRD3CYP2D6HTR1A

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
US-6960579-B1 Serotonergic 5HT7 receptor compounds for treating ocular and CNS disorders ALCON MANUFACTURING, LTD. (US) 2005-11-01 US claimed