SCHEMBL9037333

SCHEMBL9037333

CC1SC(C)(C)C(=O)N1CCCCN1CCC(c2cc3ccccc3s2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
SLC6A4 P31645 3/20 0.57
HTR2A P28223 5/20 0.51
DRD4 P21917 3/20 0.51
SLC6A2 P23975 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 3/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HRH1 P35367 2/20 0.37
HTR6 P50406 2/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37

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 SCHEMBL7989995 0.99 DRD2 (0.56) DRD2SLC6A4HTR2ADRD4SLC6A2
Maleic Acid SCHEMBL9038026 0.93 DRD2 (0.50) DRD2SLC6A4HTR2ADRD4SLC6A2
Fumaric Acid SCHEMBL9038029 0.93 DRD2 (0.50) DRD2SLC6A4HTR2ADRD4SLC6A2
Fumaric Acid SCHEMBL7990174 0.74 DRD2 (0.51) DRD2SLC6A4HTR2ADRD4DRD3
Maleic Acid SCHEMBL7990173 0.74 DRD2 (0.51) DRD2SLC6A4HTR2ADRD4DRD3
SCHEMBL11877556 0.72 SLC6A4 (0.70) DRD2SLC6A4HTR2ASLC6A2SIGMAR1
Hydrochloric Acid SCHEMBL7979099 0.71 HTR1A (0.57) DRD2SLC6A4HTR2ASLC6A2HTR7
SCHEMBL11875197 0.70 SLC6A4 (0.71) DRD2SLC6A4SLC6A2HTR1A
SCHEMBL9298831 0.69 DRD4 (0.54) HTR2ADRD4
Hydrochloric Acid SCHEMBL11877675 0.69 SLC6A4 (0.69) DRD2SLC6A4SLC6A2HTR1A

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-0699675-A2 3-(4-(1-Substituted-4-piperazinyl)butyl)-4-thiazolidinone and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-03-06 EP disclosed