SCHEMBL7699802

SCHEMBL7699802

CC(=O)NCC1CCN(N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
CACNA1H O95180 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
EPHX1 P07099 3/20 0.40
EPHX2 P34913 2/20 0.40
DKK1 O94907 1/20 0.38
FAP Q12884 2/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL22777599 0.82 CYP2D6 (0.55) TDP1EPHX1EPHX2CYP2D6TPSAB1
SCHEMBL8136269 0.82 MTNR1A (0.45) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL13165688 0.81 TDP1 (0.58) TDP1CKS1BSKP1SKP2MTNR1A
SCHEMBL48633 0.81
SCHEMBL21974977 0.81 CKS1B (0.42) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL9893072 0.81 EPHX2 (0.57) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL14252423 0.81 CKS1B (0.45) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL13117040 0.81 CKS1B (0.42) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL21551715 0.79 EPHX2 (0.46) TDP1SIRT2SIRT1SIRT3CKS1B
SCHEMBL16306645 0.79 EPHX1 (0.56) TDP1SIRT2SIRT1SIRT3CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021202874-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS BP ASSET V, INC. (US) 2021-10-07 WO disclosed
WO-2021097009-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2021-05-20 WO disclosed
WO-2021097008-A1 USE OF PYRIDYLOXYPYRIDINES FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2021-05-20 WO disclosed
WO-2021097002-A1 USE OF PYRIDYLOXYPYRIMIDINES FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2021-05-20 WO disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed