SCHEMBL9089984

SCHEMBL9089984

O=C(Oc1ccc2c(c1)OC(CNCc1ccco1)CC2)C(=O)Oc1ccc2c(c1)OC(CNCc1ccco1)CC2

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.50
DRD3 P35462 8/20 0.50
DRD4 P21917 7/20 0.50
DRD1 P21728 5/20 0.50
DRD5 P21918 4/20 0.50
HTR6 P50406 1/20 0.46

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
SCHEMBL9089454 0.83 DRD2 (0.69) DRD2DRD3DRD4DRD1DRD5
Oxalic Acid SCHEMBL9089975 0.82 DRD2 (0.74) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7322386 0.80 HTR6 (0.48) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7316568 0.80 DRD2 (0.57) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7318081 0.79 NFKB1 (0.48) HTR6
SCHEMBL7320065 0.77 DRD2 (0.68) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7311588 0.77 HTR6 (0.50) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7315074 0.75 HTR6 (0.43) DRD2DRD3DRD4DRD1DRD5
SCHEMBL7316933 0.74 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL9089665 0.74 HTR6 (0.52) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541199-A DOPAMINE MODULATORS, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed