SCHEMBL5203700

SCHEMBL5203700

CCC1CCc2sc(N)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.48
DRD2 P14416 6/20 0.48
ADRA2A P08913 3/20 0.48
HRH2 P25021 2/20 0.48
DRD4 P21917 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
HTR2A P28223 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1B P28222 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NOS3 P29474 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
SCHEMBL8280705 0.87 DRD3 (0.58) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL11241158 0.82 DRD2 (0.45) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL17481210 0.81 NOS3 (0.37) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL5204000 0.77 APOBEC3A (0.48) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL5810245 0.74 DRD2 (0.59) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL5810238 0.74 DRD2 (0.59) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL5810241 0.74 DRD2 (0.59) DRD3DRD2ADRA2AHRH2DRD4
SCHEMBL14492240 0.74 DRD3 (0.80) DRD3DRD2ADRA2AHRH2DRD4
Hydrochloric Acid SCHEMBL7315225 0.73 DRD3 (0.51) DRD3DRD2ADRA2AHRH2DRD4
Hydrochloric Acid SCHEMBL5809870 0.73 ADRA2A (0.60) DRD3DRD2ADRA2AHRH2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed