SCHEMBL11160867

SCHEMBL11160867

COc1c(O)c(Cl)c2c(c1Sc1ccccc1)CCN(C)CC2

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 8/20 0.43
▸ DRD2 P14416 8/20 0.43
▸ DRD5 P21918 4/20 0.43
▸ DRD3 P35462 3/20 0.42
▸ DRD4 P21917 3/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL11152828 0.89 DRD2 (0.47) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11159788 0.86 DRD1 (0.48) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11155684 0.83 DRD2 (0.41) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11160741 0.81 SMN1; SMN2 (0.38) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11160737 0.79 DRD1 (0.43) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11168165 0.79 SMN1; SMN2 (0.36) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11171833 0.78 KDM4E (0.38) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11158084 0.78 DRD2 (0.37) DRD1DRD2DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL11193597 0.78 SMN1; SMN2 (0.39) DRD1DRD2DRD5DRD3DRD4
SCHEMBL11162390 0.76 KDM4E (0.38) 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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