SCHEMBL11165085

SCHEMBL11165085

CN1CCc2c(Br)c(O)c(O)c(Sc3ccccc3)c2CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.43
▸ DRD1 P21728 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ DRD4 P21917 3/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ SETD7 Q8WTS6 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ DRD5 P21918 3/20 0.36
▸ DRD3 P35462 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HRH4 Q9H3N8 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
SCHEMBL11162519 0.84 RXFP1 (0.39) DRD2DRD1KDM4EALDH1A1RXFP1
SCHEMBL11159788 0.83 DRD1 (0.48) DRD2DRD1KDM4EALDH1A1RXFP1
SCHEMBL11153936 0.83 KDM4E (0.38) DRD2DRD1KDM4EALDH1A1RXFP1
Bromide SCHEMBL11166735 0.79 KDM4E (0.35) DRD2DRD1KDM4EALDH1A1RXFP1
SCHEMBL11168165 0.78 SMN1; SMN2 (0.36) DRD2DRD1KDM4EDRD4HTR1A
SCHEMBL10471907 0.78 DRD1 (0.44) DRD2DRD1KDM4EDRD4DRD5
Hydrochloric Acid SCHEMBL11193597 0.77 SMN1; SMN2 (0.39) DRD2DRD1KDM4EDRD4HTR1A
Bromide SCHEMBL11159318 0.77 DRD1 (0.47) DRD2DRD1KDM4EDRD4DRD5
SCHEMBL10700283 0.74 DRD1 (0.49) DRD2DRD1DRD4DRD5DRD3
Hydrochloric Acid SCHEMBL10703949 0.73 DRD1 (0.48) DRD2DRD1DRD4DRD5DRD3

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 7 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
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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