SCHEMBL8612003

SCHEMBL8612003

c1ccc(CNCCOc2cccc3[nH]ncc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 1.00
DRD2 P14416 9/20 1.00
DRD3 P35462 9/20 1.00
HTR6 P50406 6/20 0.53
BCHE P06276 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8485880 0.84 DRD2 (0.73) DRD4DRD2DRD3HTR6BCHE
SCHEMBL8487697 0.81 DRD2 (0.67) DRD4DRD2DRD3KMT2A
SCHEMBL1142167 0.79 DRD2 (0.65) DRD4DRD2DRD3
SCHEMBL30481265 0.79 DRD2 (0.65) DRD4DRD2DRD3
SCHEMBL7206828 0.79 DRD2 (1.00) DRD4DRD2DRD3HTR6
SCHEMBL11701339 0.77 DRD4 (0.77) DRD4DRD2DRD3HTR6KDM4E
SCHEMBL10668370 0.76 DRD2 (0.62) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL8120489 0.75 DRD4 (1.00) DRD4DRD2DRD3HTR6KDM4E
Hydrochloric Acid SCHEMBL29608988 0.75 KMT2A (0.68) DRD4DRD2DRD3HTR6BCHE
SCHEMBL4077457 0.75 DRD2 (0.59) DRD4DRD2DRD3

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-0960101-A1 4-AMINOETHOXYINDAZOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-01 EP 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
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