SCHEMBL1648752

SCHEMBL1648752

NCCCCN[C@@H](CCCCN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FOLH1 Q04609 1/20 0.42
GSR P00390 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
HPGDS O60760 1/20 0.40
PAOX Q6QHF9 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
TLR2 O60603 2/20 0.39
GGT1 P19440 1/20 0.37
CPB2 Q96IY4 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
CA12 O43570 1/20 0.34
F13A1 P00488 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL28043982 0.90 SIRT6 (0.57) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL28346802 0.90 SIRT6 (0.57) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL7622596 0.90 SIRT6 (0.57) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL7020890 0.89 FOLH1 (0.40) SIRT6SIRT1MAOAMAOBFOLH1
SCHEMBL12304647 0.86 SIRT6 (0.49) SIRT6SIRT1MAOAMAOBFOLH1
SCHEMBL17541390 0.85 SIRT6 (0.49) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL28962963 0.85 SIRT6 (0.49) SIRT6SIRT1GNAI3GNAO1GNAI1
SCHEMBL19732599 0.85 CA12 (0.43) MAOAMAOBPAOXGGT1CA12
SCHEMBL148480 0.84 FOLH1 (0.54) SIRT6SIRT1FOLH1GSRGNAI3
SCHEMBL7076576 0.84 FOLH1 (0.54) SIRT6SIRT1FOLH1GSRGNAI3

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
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed