SCHEMBL10471907

SCHEMBL10471907

CN1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 11/20 0.44
▸ DRD2 P14416 9/20 0.44
▸ DRD5 P21918 5/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ DRD3 P35462 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Bromide SCHEMBL11159318 0.99 DRD1 (0.47) DRD1DRD2DRD5DRD4MAPK1
SCHEMBL11215258 0.89 DRD2 (0.42) DRD1DRD2DRD5DRD4DRD3
SCHEMBL11168905 0.88 PRNP (0.39) DRD1DRD2DRD5DRD4THPO
SCHEMBL11162257 0.86 PTPN2 (0.38) DRD1DRD2DRD5DRD4DRD3
SCHEMBL11216598 0.86 DRD2 (0.41) DRD1DRD2DRD5DRD4THPO
Bromide SCHEMBL11156560 0.85 MEN1 (0.42) DRD1DRD2DRD5DRD4KDM4E
SCHEMBL11160737 0.84 DRD1 (0.43) DRD1DRD2DRD5DRD4MAPK1
SCHEMBL11216603 0.84 DRD1 (0.43) DRD1DRD2DRD5DRD4DRD3
SCHEMBL11155830 0.83 KDM4E (0.38) DRD1DRD2DRD5DRD4DRD3
Bromide SCHEMBL11156979 0.83 NPC1 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 — — US claimed
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 claimed
US-4910198-A Antiarrhythmia agent ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-20 — — US disclosed
US-4855426-A Process of preparing 1,5-epoxy-2,3,4,5-tetrahydro-1H-3-benzazepins ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-08 — — US disclosed
US-4761413-A CYTOPROTECTION, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-02 — — US disclosed
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