SCHEMBL22907459

SCHEMBL22907459

O[C@H]1C[C@H](CN2CCC(OC3CCNCC3)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32

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
SCHEMBL22907052 0.89 GBA1 (0.41) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL5209182 0.84 CHRM5 (0.38) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL13884111 0.81 GBA1 (0.32) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL22907051 0.81 GBA1 (0.47) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL22907460 0.80 GBA1 (0.41) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL22907137 0.79 CHRM5 (0.46) GBA1
SCHEMBL23204878 0.78 CHRM5 (0.39) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL13884112 0.77 GNAO1 (0.35) GBA1
SCHEMBL23205510 0.75 ACHE (0.35) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL23205744 0.75 ACHE (0.35) GBA1CACNA2D1CACNA1BCACNB1

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
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed