SCHEMBL11155684

SCHEMBL11155684

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.41
▸ DRD1 P21728 3/20 0.41
▸ DRD5 P21918 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ DRD4 P21917 3/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11160867 0.83 DRD1 (0.43) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11171000 0.80 DRD1 (0.38) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11160741 0.79 SMN1; SMN2 (0.38) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11168165 0.77 SMN1; SMN2 (0.36) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11158084 0.76 DRD2 (0.37) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11162390 0.76 KDM4E (0.38) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11171833 0.76 KDM4E (0.38) DRD2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL11193597 0.76 SMN1; SMN2 (0.39) DRD2DRD1DRD5DRD3DRD4
Fumaric Acid SCHEMBL11169441 0.74 SMN1; SMN2 (0.41) DRD2DRD1DRD5HTR1AMAPT

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
Send feedback