SCHEMBL17898235

SCHEMBL17898235

COc1cc2c(cc1OC)C(=O)N(CCCN1CCN(c3cccc(Cl)c3Cl)CC1)C2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.61
DRD1 P21728 5/20 0.61
DRD2 P14416 8/20 0.59
HTR7 P34969 3/20 0.59
DRD5 P21918 1/20 0.59
HTR1A P08908 2/20 0.56
HTR2A P28223 1/20 0.56
DRD4 P21917 2/20 0.53

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
SCHEMBL17898233 0.94 DRD3 (0.53) DRD3DRD1DRD2HTR7DRD5
SCHEMBL13448990 0.93 DRD3 (0.65) DRD3DRD1DRD2HTR7DRD5
SCHEMBL17898231 0.88 DRD3 (0.60) DRD3DRD1DRD2HTR7DRD5
SCHEMBL13449000 0.87 DRD3 (0.77) DRD3DRD1DRD2HTR7DRD5
SCHEMBL13448967 0.85 DRD3 (0.80) DRD3DRD1DRD2HTR7DRD5
SCHEMBL13448975 0.84 DRD3 (0.79) DRD3DRD1DRD2HTR7DRD5
SCHEMBL21250682 0.82 DRD3 (0.65) DRD3DRD1DRD2HTR7DRD5
SCHEMBL13448986 0.82 DRD2 (0.57) DRD3DRD1DRD2HTR7DRD5
SCHEMBL2027865 0.81 DRD3 (0.70) DRD3DRD1DRD2HTR7DRD5
SCHEMBL10835486 0.78 DRD3 (0.64) DRD3DRD1DRD2HTR7DRD5

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