SCHEMBL7314306

SCHEMBL7314306

Nc1nc2c(s1)CC(NCc1ccc(Cl)cc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.61
SCN9A Q15858 3/20 0.61
SCN4A P35499 3/20 0.61
DRD3 P35462 5/20 0.58
DRD2 P14416 4/20 0.58
HRH2 P25021 3/20 0.58
ADRA2A P08913 2/20 0.58
DRD4 P21917 2/20 0.58
HRH1 P35367 2/20 0.58
HRH4 Q9H3N8 2/20 0.58
ADRB2 P07550 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
SCHEMBL7316672 0.88 DRD2 (0.62) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL23654149 0.88 DRD3 (0.65) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL23654148 0.87 SCN3A (0.58) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL21467219 0.85 SCN3A (0.58) SCN3ASCN9ASCN4ADRD3DRD2
Hydrochloric Acid SCHEMBL7309567 0.80 SCN4A (0.61) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL8244275 0.76 DRD3 (0.79) SCN3ASCN9ASCN4ADRD3DRD2
SCHEMBL7859028 0.76 DRD3 (0.79) SCN3ASCN9ASCN4ADRD3DRD2
Hydrochloric Acid SCHEMBL7325899 0.76 MAPT (0.48) SCN3ASCN9ASCN4ADRD3DRD2
Hydrochloric Acid SCHEMBL7313270 0.75 ADRA2A (0.80) SCN3ASCN9ASCN4ADRD3DRD2
Bromide SCHEMBL1193573 0.75 DRD3 (0.77) SCN3ASCN9ASCN4ADRD3DRD2

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
EP-0483252-A1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES FOR TREATING DISEASES OF THE EYE BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-05-06 EP disclosed
WO-1991001136-A1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES FOR TREATING DISEASES OF THE EYE BOEHRINGER INGELHEIM KG (DE) 1991-02-07 WO disclosed
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