SCHEMBL6902826

SCHEMBL6902826

O=COc1cccc2c1Cc1ccccc1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
DRD3 P35462 3/20 0.41
CYP1A2 P05177 1/20 0.35
HTR2A P28223 1/20 0.33
MAOA P21397 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CYP2A6 P11509 1/20 0.31
DRD4 P21917 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
CD69 Q07108 1/20 0.30

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
SCHEMBL6899118 0.83 ADRA2A (0.33)
SCHEMBL376145 0.82 PNMT (0.45) MAOABCHECES1
SCHEMBL1581695 0.78 MAOA (0.48) DRD2DRD1DRD5DRD3MAOA
SCHEMBL28120988 0.78 ALDH1A1 (0.46) DRD2DRD1DRD5DRD3
SCHEMBL27471730 0.75 MAOA (0.42) DRD2DRD3MAOADRD4BCHE
SCHEMBL11575327 0.75 DRD1 (0.45) DRD2DRD1DRD5DRD3CYP1A2
SCHEMBL28263467 0.75 DRD2 (0.67) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL2399109 0.74 RXRA (0.46) CHRM2CHRM1CHRM3
SCHEMBL7631718 0.73 DRD2 (0.33) DRD2DRD1DRD5DRD3CYP1A2
SCHEMBL9881101 0.72 ALDH1A1 (0.42) DRD2DRD1DRD5DRD3CYP1A2

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed