SCHEMBL12812737

SCHEMBL12812737

CCC(C)C(=O)C(CCCCN)NC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ GSR P00390 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ CPB2 Q96IY4 3/20 0.35
▸ RNPEP Q9H4A4 1/20 0.35
▸ GABRR1 P24046 2/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ TLR2 O60603 1/20 0.33

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
SCHEMBL27250381 0.84 FOLH1 (0.41) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL20435279 0.84 FOLH1 (0.41) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL18689009 0.84 FOLH1 (0.41) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL12323341 0.82 SIRT6 (0.40) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL20235751 0.78 NMT2 (0.41) SIRT6SIRT1SLC6A5CPB2NMT2
SCHEMBL12392036 0.78 FOLH1 (0.35) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL14878853 0.77 SIRT6 (0.42) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL21103612 0.77 GSR (0.53) GNAI3GNAO1GNAI1GSRCPB2
SCHEMBL20978516 0.77 SIRT6 (0.42) SIRT6SIRT1FOLH1GNAI3GNAO1
SCHEMBL18868852 0.77 GSR (0.53) GNAI3GNAO1GNAI1GSRCPB2

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
EP-2301942-A1 Transition metal complexes with (pyridyl)imidazole ligands and their use Abbott Diabetes Care Inc. (US) 2011-03-30 — — EP disclosed
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