SCHEMBL5230712

SCHEMBL5230712

CCCN([C]=O)N1CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
TP53 P04637 1/20 0.33
PIK3CD O00329 1/20 0.33
LMNA P02545 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CHRM2 P08172 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM1 P11229 3/20 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
SCHEMBL20243443 0.75 BRD4 (0.38) BRD4BRD2TP53PIK3CDLMNA
SCHEMBL9989649 0.70 LMNA (0.37) BRD4BRD2TP53PIK3CDLMNA
SCHEMBL7689470 0.70 HRH3 (0.30)
SCHEMBL9434905 0.70 BRD4 (0.43) BRD4BRD2PIK3CDLMNACA12
SCHEMBL20909425 0.68 BRD4 (0.41) BRD4BRD2PIK3CDLMNACA12
SCHEMBL6645160 0.67 BRD4 (0.40) BRD4BRD2PIK3CDLMNACA12
SCHEMBL6047009 0.66
SCHEMBL9381608 0.66 SLC6A2 (0.47)
SCHEMBL11242674 0.64 LMNA (0.40) BRD4BRD2PIK3CDLMNACA12
SCHEMBL9723828 0.63 GAA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed