SCHEMBL6901150

SCHEMBL6901150

Oc1ccc2c(c1)Cc1ccccc1CC2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 15/20 0.73
DRD2 P14416 15/20 0.73
DRD5 P21918 13/20 0.73
DRD3 P35462 12/20 0.73
DRD4 P21917 9/20 0.68
HTR2A P28223 1/20 0.46
CYP2A6 P11509 1/20 0.45
PBRM1 Q86U86 1/20 0.44

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
SCHEMBL6903685 0.96 DRD1 (0.76) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11205264 0.93 DRD1 (0.69) DRD1DRD2DRD5DRD3DRD4
SCHEMBL31634361 0.93 DRD1 (0.69) DRD1DRD2DRD5DRD3DRD4
SCHEMBL30672580 0.86
SCHEMBL21318766 0.86
SCHEMBL14317167 0.86 DRD1 (0.61) DRD1DRD2DRD5DRD3DRD4
SCHEMBL31513871 0.81 DRD1 (1.00) DRD1DRD2DRD5DRD3DRD4
SCHEMBL8408108 0.81
Ammonia Solution, Strong SCHEMBL21632258 0.79 DRD2 (0.54) DRD1DRD2DRD5DRD3DRD4
SCHEMBL217399 0.78 KDM4E (0.59) DRD1DRD2DRD5DRD3DRD4

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 4 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
US-4448786-A TREATMENT AND PREVENTION OF CALCIUM OXALATE KIDNEY STONES MERCK & CO., INC. (US) 1984-05-15 US disclosed
US-4349561-A 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1982-09-14 US disclosed