SCHEMBL10700283

SCHEMBL10700283

CN1CCc2ccc(O)c(Sc3ccccc3)c2CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 9/20 0.49
▸ DRD2 P14416 8/20 0.49
▸ DRD5 P21918 8/20 0.49
▸ DRD3 P35462 7/20 0.49
▸ DRD4 P21917 5/20 0.48
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL10703949 0.99 DRD1 (0.48) DRD1DRD2DRD5DRD3DRD4
Sulfuric Acid SCHEMBL10924229 0.93 DRD1 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11158057 0.85 ADRA2A (0.41) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10471907 0.83 DRD1 (0.44) DRD1DRD2DRD5DRD3DRD4
Bromide SCHEMBL11159318 0.82 DRD1 (0.47) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10700526 0.80 DRD1 (0.49) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11160737 0.79 DRD1 (0.43) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11219447 0.78 CHRNA7 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11162519 0.75 RXFP1 (0.39) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11165085 0.74 DRD2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285287-A2 3-Benzazepine compounds for use in treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1988-10-05 — — EP claimed
EP-0285287-A2 3-Benzazepine compounds for use in treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1988-10-05 — — EP disclosed
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