SCHEMBL7308570

SCHEMBL7308570

CCN(CC)C1CCc2nc(N)sc2C1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.79
DRD2 P14416 8/20 0.79
HRH2 P25021 2/20 0.55
ADRA2A P08913 2/20 0.55
DRD4 P21917 2/20 0.55
ADRB2 P07550 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HRH4 Q9H3N8 1/20 0.55

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
SCHEMBL14713910 0.92 DRD2 (0.90) DRD3DRD2
SCHEMBL10123839 0.92 DRD2 (0.90) DRD3DRD2
Hydrochloric Acid SCHEMBL7317109 0.86 DRD2 (0.95) DRD3DRD2DRD4
SCHEMBL7322498 0.83 DRD3 (0.67) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL6032194 0.83 DRD3 (0.67) DRD3DRD2HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL7314833 0.82 DRD2 (0.59) DRD3DRD2
Hydrochloric Acid SCHEMBL7318892 0.81 DRD3 (0.65) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL15076626 0.81 DRD3 (0.78) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL8198066 0.81 DRD3 (0.78) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL11885228 0.81 DRD3 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP disclosed