SCHEMBL11162576

SCHEMBL11162576

CN1CCc2c(Sc3ccccc3)cc(O)c(Cl)c2CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 11/20 0.48
▸ DRD2 P14416 9/20 0.48
▸ DRD5 P21918 6/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ DRD4 P21917 2/20 0.48
▸ CHRNA7 P36544 1/20 0.41
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL11160077 0.81 DRD1 (0.46) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11219447 0.80 CHRNA7 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11155968 0.79 HTR2A (0.54) CHRNA7SMN1; SMN2MEN1KMT2A
SCHEMBL10925142 0.77 ADRA2A (0.49) DRD1DRD2DRD5DRD4CHRNA7
SCHEMBL11159788 0.77 DRD1 (0.48) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10701215 0.76 DRD1 (0.53) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11160867 0.72 DRD1 (0.43) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10923605 0.71 CHRNA7 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10471907 0.71 DRD1 (0.44) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11038468 0.71 ADRA2A (0.51) 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
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
EP-0007070-B1 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 — — 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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