SCHEMBL22756306

SCHEMBL22756306

N[C@@H]1CC(COCc2ccccc2)[C@H](OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
PDE4D Q08499 1/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
LMNA P02545 1/20 0.38
GJB2 P29033 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
AGTR2 P50052 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL22756305 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL29589236 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL30001024 1.00 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL14722152 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL14719819 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL23273737 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL22241748 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL23313010 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL14719887 0.82 BCHE (0.49) BCHEACHEPDE4DTSHRTAAR1
SCHEMBL783701 0.79 TAAR1 (0.40) BCHEACHEPDE4DTSHRTAAR1

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-3747872-A1 CARBOCYCLIC NUCLEOSIDE ANALOGUE Ludwig-Maximilians-Universität München (DE) 2020-12-09 EP disclosed