SCHEMBL30530366

SCHEMBL30530366

CCN(CC)CCC(=O)OC[C@@H]1C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC(C)C

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 20/20 0.79

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
SCHEMBL18108201 1.00 SLC18A2 (0.79) SLC18A2
SCHEMBL30530420 0.92 SLC18A2 (0.81) SLC18A2
SCHEMBL22355778 0.92 SLC18A2 (0.81) SLC18A2
SCHEMBL18107580 0.89 SLC18A2 (0.83) SLC18A2
SCHEMBL18107625 0.88 SLC18A2 (0.84) SLC18A2
SCHEMBL22355794 0.88 SLC18A2 (0.84) SLC18A2
SCHEMBL18107612 0.88 SLC18A2 (1.00) SLC18A2
SCHEMBL30530388 0.88 SLC18A2 (0.84) SLC18A2
SCHEMBL22355775 0.87 SLC18A2 (0.82) SLC18A2
SCHEMBL30530391 0.87 SLC18A2 (0.82) SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 — — EP disclosed
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