SCHEMBL22907460

SCHEMBL22907460

O[C@H]1C[C@H](CN2CCC(CC3CCNCC3)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
GNAO1 P09471 2/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
ACHE P22303 3/20 0.33
HTR4 Q13639 1/20 0.33
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL22907051 0.87 GBA1 (0.47) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL4031644 0.83 GBA1 (0.42) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL22907459 0.80 GBA1 (0.36) GBA1CACNA2D1CACNA1BCACNB1
SCHEMBL5648979 0.80 GBA1 (0.50) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL16303417 0.76 GBA1 (0.50) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL22907052 0.76 GBA1 (0.41) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL24717543 0.75 GBA1 (0.43) GBA1CACNA2D1CACNA1BCACNB1ACHE
SCHEMBL19063632 0.73 SLC6A1 (0.41) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL19063634 0.73 SLC6A1 (0.41) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL19063705 0.73 SLC6A1 (0.41) GBA1GNAO1CACNA2D1CACNA1BCACNB1

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