SCHEMBL8487693

SCHEMBL8487693

NC(CCOc1cccc2[nH]ncc12)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NOS1 P29475 4/20 0.35
AXL P30530 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CACNA2D1 P54289 6/20 0.35
IDO1 P14902 2/20 0.34
ITK Q08881 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL8485875 0.80 DRD2 (0.46) DRD2DRD4DRD3ALDH1A1SLC6A2
SCHEMBL8487961 0.75 DRD2 (0.59) DRD2DRD4DRD3NOS1AXL
SCHEMBL8487697 0.73 DRD2 (0.67) DRD2DRD4DRD3ALDH1A1IDO1
SCHEMBL4077457 0.72 DRD2 (0.59) DRD2DRD4DRD3NOS1AXL
SCHEMBL28266694 0.71 DRD2 (0.59) DRD2DRD4DRD3NOS1AXL
SCHEMBL10264250 0.71 DRD2 (0.58) DRD2DRD4DRD3NOS1AXL
SCHEMBL4795194 0.71 DRD2 (0.58) DRD2DRD4DRD3NOS1AXL
SCHEMBL17738298 0.68 DRD4 (0.51) DRD2DRD4DRD3ALDH1A1SLC6A3
SCHEMBL11155478 0.68 NR2E1 (0.58) DRD2DRD4DRD3ALDH1A1SLC6A2
SCHEMBL17738550 0.67 DRD2 (0.59) DRD2DRD4DRD3ALDH1A1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP claimed
US-5872144-A DOPAMINERGIC AGENTS USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, TOURETTE'S SYNDROME, DRUG AND ALCOHOL ADDICTION, AND ALSO USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US claimed
WO-1998035942-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO claimed
WO-1998035943-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO claimed
EP-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP disclosed
US-5872144-A DOPAMINERGIC AGENTS USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, TOURETTE'S SYNDROME, DRUG AND ALCOHOL ADDICTION, AND ALSO USEFUL IN THE TREATMENT OF PARKINSON'S DISEASE. AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US disclosed
WO-1998035942-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035943-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed