SCHEMBL9874973

SCHEMBL9874973

COC(=O)C1CCc2nc(N)sc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.52
DRD3 P35462 5/20 0.50
DRD2 P14416 4/20 0.50
HRH2 P25021 2/20 0.50
ADRA2A P08913 2/20 0.50
DRD4 P21917 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
SCN4A P35499 3/20 0.47
SCN3A Q9NY46 3/20 0.47

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
SCHEMBL1030772 0.86 PDK1 (0.71) PDK1DRD3DRD2HRH2ADRA2A
Bromide SCHEMBL1030770 0.85 PDK1 (0.70) PDK1DRD3DRD2HRH2ADRA2A
SCHEMBL10687990 0.84 PDK1 (0.53) PDK1LMNAMAPTTSHRMAPK1
SCHEMBL10687999 0.84 PDK1 (0.53) PDK1LMNAMAPTTSHRMAPK1
SCHEMBL10687994 0.84 PDK1 (0.53) PDK1LMNAMAPTTSHRMAPK1
SCHEMBL9873084 0.83 PDK1 (0.66) PDK1DRD3DRD2HRH2ADRA2A
SCHEMBL1033938 0.79 SMN1; SMN2 (0.56) PDK1LMNAMAPTTSHRHSD17B10
SCHEMBL3025573 0.77 SCN4A (0.62) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL1032097 0.76 RAB9A (0.56) PDK1LMNAPOLBMAPTMAPK1
SCHEMBL5810193 0.75 SCN4A (0.61) DRD3DRD2HRH2ADRA2ADRD4

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
WO-2024010761-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2024-01-11 WO disclosed
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed