SCHEMBL6575605

SCHEMBL6575605

COc1ccc(C(=O)NCCN(C)CCOc2ccc(NS(C)(=O)=O)cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.57
DRD2 P14416 2/20 0.57
HRH3 Q9Y5N1 1/20 0.57
KCNH2 Q12809 4/20 0.53
ACHE P22303 2/20 0.53
CACNA1F O60840 1/20 0.53
CHRM2 P08172 1/20 0.53
AGTR1 P30556 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL6575601 0.82 ADRB2 (0.46) DRD3DRD2HRH3ADRB2ADRB1
SCHEMBL9053008 0.80 KCNH2 (0.77) DRD3DRD2HRH3KCNH2ACHE
Hydrochloric Acid SCHEMBL6572278 0.79 KCNH2 (0.75) DRD3DRD2HRH3KCNH2ACHE
SCHEMBL7861253 0.74 KCNH2 (0.78) DRD3KCNH2ACHECACNA1FCHRM2
SCHEMBL9628761 0.74 KCNH2 (0.80) DRD3KCNH2ACHECACNA1FCHRM2
Itopride SCHEMBL311309 0.73 DRD2 (1.00) DRD3DRD2HRH3KCNH2ACHE
SCHEMBL10642568 0.73 CA1 (0.54) DRD3DRD2KCNH2LMNAKMT2A
SCHEMBL445883 0.72 TP53 (0.62) DRD3DRD2HRH3TP53KMT2A
SCHEMBL9826588 0.72 CACNA1F (0.57) DRD3KCNH2ACHECACNA1FCHRM2
Itopride SCHEMBL554675 0.72 DRD2 (0.98) DRD3DRD2HRH3KCNH2ACHE

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
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed