SCHEMBL30530442

SCHEMBL30530442

COc1cc2c(cc1OC)[C@H]1C[C@@H](COC(=O)N(C)C)[C@H](CC(C)C)CN1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 20/20 1.00

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
SCHEMBL22355811 1.00 SLC18A2 (1.00) SLC18A2
SCHEMBL18107579 0.91 SLC18A2 (1.00) SLC18A2
SCHEMBL18107635 0.91 SLC18A2 (1.00) SLC18A2
SCHEMBL18107671 0.91 SLC18A2 (1.00) SLC18A2
SCHEMBL18107603 0.91 SLC18A2 (1.00) SLC18A2
SCHEMBL18107609 0.90 SLC18A2 (0.85) SLC18A2
SCHEMBL18107630 0.90 SLC18A2 (0.81) SLC18A2
SCHEMBL18107585 0.90 SLC18A2 (0.85) SLC18A2
SCHEMBL22355775 0.89 SLC18A2 (0.82) SLC18A2
SCHEMBL30530391 0.89 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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