SCHEMBL10144408

SCHEMBL10144408

CCCCn1c(=O)cc(C)c2ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.47
▸ SIRT2 Q8IXJ6 9/20 0.39
▸ SIRT1 Q96EB6 9/20 0.39
▸ SIRT3 Q9NTG7 4/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ SSTR3 P32745 1/20 0.38

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
SCHEMBL10144445 0.94 TLR2 (0.46) TLR2SIRT2SIRT1SIRT3PTPN1
SCHEMBL10144449 0.91 TLR2 (0.44) TLR2PTPN1
SCHEMBL10143568 0.91 TLR2 (0.43) TLR2PTPN1
SCHEMBL10143586 0.90 MDM2 (0.42) SIRT2SIRT1SIRT3
SCHEMBL10144450 0.90 TLR2 (0.43) TLR2PTPN1
SCHEMBL10143401 0.85 TLR2 (0.46) TLR2PTPN1
SCHEMBL10144109 0.85 MDM2 (0.42) TLR2SIRT2SIRT1SIRT3
SCHEMBL10143779 0.84 TLR2 (0.45) TLR2
SCHEMBL10143538 0.82 TLR2 (0.54) TLR2SIRT2SIRT1SIRT3PTPN1
SCHEMBL10143408 0.82 MDM2 (0.41) TLR2SIRT2SIRT1SIRT3

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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