SCHEMBL11216603

SCHEMBL11216603

COc1ccc(Sc2c(O)c(O)cc3c2CCN(C)CC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 7/20 0.43
▸ DRD5 P21918 7/20 0.43
▸ DRD2 P14416 6/20 0.43
▸ DRD3 P35462 6/20 0.43
▸ DRD4 P21917 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGIR P43119 1/20 0.36

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
SCHEMBL11215258 0.87 DRD2 (0.42) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11168905 0.86 PRNP (0.39) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11216598 0.85 DRD2 (0.41) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11162257 0.85 PTPN2 (0.38) DRD1DRD5DRD2DRD3DRD4
SCHEMBL10471907 0.84 DRD1 (0.44) DRD1DRD5DRD2DRD3DRD4
Bromide SCHEMBL11159318 0.83 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11155830 0.81 KDM4E (0.38) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11167334 0.80 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL11214820 0.79 DRD2 (0.36) DRD1DRD5DRD2DRD3DRD4
SCHEMBL11160737 0.78 DRD1 (0.43) DRD1DRD5DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080012-A1 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate SMITHKLINE BECKMAN CORPORATION (US) 1983-06-01 — — EP disclosed
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 — — US disclosed
EP-0007070-A1 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity SMITHKLINE BECKMAN CORPORATION (US) 1980-01-23 — — EP disclosed
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