SCHEMBL11168165

SCHEMBL11168165

COc1c(Br)c2c(c(Sc3ccccc3)c1OC)CCN(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ DRD2 P14416 6/20 0.36
▸ DRD1 P21728 5/20 0.36
▸ DRD5 P21918 5/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ DRD4 P21917 4/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ EIF4H Q15056 1/20 0.33

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 SCHEMBL11193597 0.99 SMN1; SMN2 (0.39) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11160741 0.86 SMN1; SMN2 (0.38) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11152828 0.84 DRD2 (0.47) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11171833 0.81 KDM4E (0.38) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11162390 0.81 KDM4E (0.38) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11158084 0.81 DRD2 (0.37) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11160867 0.79 DRD1 (0.43) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11165085 0.78 DRD2 (0.43) SMN1; SMN2DRD2DRD1DRD5DRD3
SCHEMBL11160967 0.78 DRD1 (0.47) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11168026 0.78 CYP2D6 (0.37) DRD2DRD1DRD5DRD3

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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