SCHEMBL25723913

SCHEMBL25723913

CC(C)N1CCC(NC#N)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
HRH3 Q9Y5N1 8/20 0.36
NSD2 O96028 5/20 0.35
UCHL1 P09936 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM1A O60341 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A5 Q9Y345 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL24733364 0.89 DRD2 (0.40) CTSKUCHL1USP30DRD2DRD3
SCHEMBL26890036 0.87 CTSK (0.37) CTSKHRH3UCHL1USP30DRD2
SCHEMBL26897877 0.87 CTSK (0.37) CTSKHRH3UCHL1USP30DRD2
SCHEMBL24733366 0.81 NSD2 (0.36) CTSKHRH3NSD2KDM1ADRD2
SCHEMBL2738327 0.75 HRH3 (0.39) HRH3KDM1AALDH1A1
SCHEMBL2737372 0.75 HRH3 (0.39) HRH3KDM1AALDH1A1
SCHEMBL13995044 0.75 HRH3 (0.39) HRH3KDM1AALDH1A1
SCHEMBL25103795 0.74 HRH3 (0.33) HRH3NSD2KDM1ADRD2DRD3
SCHEMBL19756477 0.74 HRH3 (0.35) HRH3NSD2KDM1ADRD2DRD3
SCHEMBL24649001 0.74 HRH3 (0.38) HRH3KDM1AALDH1A1SLC6A5KAT2B

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-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed