SCHEMBL10332575

SCHEMBL10332575

Nc1nc(CCCN2CCN(c3ccccn3)CC2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
DRD2 P14416 10/20 0.58
DRD3 P35462 10/20 0.58
DRD4 P21917 9/20 0.58
HTR1A P08908 6/20 0.58
HTR2A P28223 5/20 0.58
HTR7 P34969 5/20 0.58
ADRA2C P18825 3/20 0.56
DRD1 P21728 3/20 0.56
HRH1 P35367 3/20 0.56
HTR2C P28335 2/20 0.56
ADRA1D P25100 2/20 0.56
ADRA1A P35348 2/20 0.56
ADRA1B P35368 2/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1E P28566 1/20 0.56

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
SCHEMBL10332824 0.97 DRD2 (0.63) POLBDRD2DRD3DRD4HTR1A
SCHEMBL10332887 0.85 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL1136779 0.85 KDM4E (0.55) DRD2DRD3DRD4HRH1
SCHEMBL10332832 0.83 HTR2A (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10333161 0.82 DRD2 (0.56) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL10332839 0.78 POLB (0.59) POLBDRD2DRD3DRD4HTR1A
SCHEMBL7329469 0.78 DRD2 (0.64) POLBDRD2DRD3DRD4HTR1A
SCHEMBL4519313 0.77 KCNH2 (0.85) POLBDRD2DRD3DRD4HTR1A
SCHEMBL26107525 0.77 KCNH2 (0.85) POLBDRD2DRD3DRD4HTR1A
SCHEMBL26108725 0.77 KCNH2 (0.85) POLBDRD2DRD3DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935424-A HYPOTENSIVE AGENTS; TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1990-06-19 US claimed
EP-0345533-A1 Substituted 2-aminothiazoles as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1989-12-13 EP claimed
WO-1989011476-A1 SUBSTITUTED 2-AMINOTHIAZOLES AS DOPAMINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-11-30 WO claimed
US-4935424-A HYPOTENSIVE AGENTS; TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1990-06-19 US disclosed
EP-0345533-A1 Substituted 2-aminothiazoles as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1989-12-13 EP disclosed
WO-1989011476-A1 SUBSTITUTED 2-AMINOTHIAZOLES AS DOPAMINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-11-30 WO disclosed