SCHEMBL17898231

SCHEMBL17898231

COc1ccc2c(c1)C(=O)N(CCCN1CCN(c3cccc(Cl)c3Cl)CC1)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.60
DRD1 P21728 4/20 0.60
DRD2 P14416 12/20 0.58
DRD5 P21918 1/20 0.56
HTR7 P34969 1/20 0.56
HTR2A P28223 1/20 0.55
DRD4 P21917 5/20 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
SCHEMBL13448986 0.94 DRD2 (0.57) DRD3DRD1DRD2DRD5HTR7
SCHEMBL17898235 0.88 DRD3 (0.61) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448974 0.85 DRD2 (0.76) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448977 0.82 DRD2 (0.71) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448958 0.82 DRD3 (0.67) DRD3DRD1DRD2DRD5HTR7
SCHEMBL17898233 0.82 DRD3 (0.53) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448990 0.81 DRD3 (0.65) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448989 0.79 DRD2 (0.69) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448985 0.78 DRD2 (0.46) DRD3DRD1DRD2DRD5HTR7
SCHEMBL13448988 0.78 DRD3 (0.78) DRD3DRD1DRD2DRD5HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160196412-A1 DESIGN OF MOLECULES RECURSION PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20160196412-A1 DESIGN OF MOLECULES RECURSION PHARMACEUTICALS, INC. 2016-07-07 US disclosed