SCHEMBL21947701

SCHEMBL21947701

CN1CC2CN(CC3CCNCC3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.47
GNAO1 P09471 4/20 0.36
GNAI3 P08754 3/20 0.34
GNAI1 P63096 3/20 0.34
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN11A Q9UI33 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
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
SCHEMBL24319179 0.91 GBA1 (0.47) GBA1GNAO1GNAI3GNAI1SCN1A
SCHEMBL22170676 0.86 GBA1 (0.51) GBA1GNAO1GNAI3GNAI1SCN1A
SCHEMBL17285958 0.86 SCN1A (0.42) GBA1SCN1ASCN4ASCN7AKCNH2
SCHEMBL10196619 0.86 SCN1A (0.42) GBA1SCN1ASCN4ASCN7AKCNH2
SCHEMBL17286007 0.82 CHRM5 (0.41) GBA1SCN1ASCN4ASCN7AKCNH2
SCHEMBL24319906 0.80
SCHEMBL22565080 0.80 NCF1 (0.45) GBA1GNAO1GNAI3GNAI1SCN1A
SCHEMBL24319344 0.80 NCF1 (0.45) GBA1GNAO1GNAI3GNAI1SCN1A
SCHEMBL21946389 0.80 GBA1 (0.50) GBA1GNAO1SCN1ASCN4ASCN7A
SCHEMBL23520060 0.80 GBA1 (0.50) GBA1GNAO1SCN1ASCN4ASCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2023004163-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-26 WO disclosed
WO-2023287928-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed