SCHEMBL21250682

SCHEMBL21250682

COc1cc2c(cc1OC)C(=O)N(CCCN1CCN(c3ccccc3)CC1)C2

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.65
DRD2 P14416 6/20 0.65
DRD5 P21918 4/20 0.65
HTR1A P08908 4/20 0.65
HTR7 P34969 2/20 0.64
DRD4 P21917 1/20 0.57
DRD1 P21728 2/20 0.54

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
SCHEMBL13448963 0.93 DRD3 (0.58) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13449000 0.88 DRD3 (0.77) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13448990 0.86 DRD3 (0.65) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13448958 0.86 DRD3 (0.67) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13448967 0.86 DRD3 (0.80) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13448975 0.85 DRD3 (0.79) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL27344744 0.84 DRD2 (0.58) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL17898235 0.82 DRD3 (0.61) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL2027865 0.81 DRD3 (0.70) DRD3DRD2DRD5HTR1AHTR7
SCHEMBL13448959 0.79 DRD2 (0.66) DRD3DRD2DRD5HTR1AHTR7

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-10381110-B2 Molecules UNIVERSITY OF DUNDEE (GB) 2019-08-13 US disclosed