SCHEMBL11168152

SCHEMBL11168152

CN1CCc2cc(O)c(O)c(Sc3cccc(C(F)(F)F)c3)c2CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 2/20 0.41
▸ LMNA P02545 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD5 P21918 2/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL11155830 0.87 KDM4E (0.38) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10471907 0.83 DRD1 (0.44) DRD2DRD1DRD5DRD3DRD4
Bromide SCHEMBL11159318 0.82 DRD1 (0.47) DRD2DRD1DRD5DRD3DRD4
Fumaric Acid SCHEMBL11157468 0.80 SMN1; SMN2 (0.39) LMNAMGLLDRD2DRD1DRD5
Fumaric Acid SCHEMBL11380659 0.80 SMN1; SMN2 (0.39) LMNAMGLLDRD2DRD1DRD5
SCHEMBL11162257 0.78 PTPN2 (0.38) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11215258 0.78 DRD2 (0.42) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11168905 0.77 PRNP (0.39) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11216598 0.76 DRD2 (0.41) DRD2DRD1DRD5DRD3DRD4
SCHEMBL11214820 0.75 DRD2 (0.36) DRD2DRD1DRD5DRD3DRD4

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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