SCHEMBL10144445

SCHEMBL10144445

CCn1c(=O)cc(C)c2ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](COCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.46
▸ PTPN1 P18031 5/20 0.40
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ SIRT1 Q96EB6 3/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ MDM2 Q00987 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
SCHEMBL10144408 0.94 TLR2 (0.47) TLR2PTPN1SIRT2SIRT1SIRT3
SCHEMBL10144449 0.93 TLR2 (0.44) TLR2PTPN1DPP8MDM2
SCHEMBL10143568 0.93 TLR2 (0.43) TLR2PTPN1DPP8MDM2
SCHEMBL10144450 0.92 TLR2 (0.43) TLR2PTPN1DPP8MDM2
SCHEMBL10144109 0.90 MDM2 (0.42) TLR2SIRT2SIRT1SIRT3MDM2
SCHEMBL10143401 0.87 TLR2 (0.46) TLR2PTPN1DPP8
SCHEMBL10144186 0.86 TLR2 (0.44) TLR2MDM2
SCHEMBL10143586 0.85 MDM2 (0.42) SIRT2SIRT1SIRT3MDM2
SCHEMBL10143538 0.84 TLR2 (0.54) TLR2PTPN1SIRT2SIRT1SIRT3
SCHEMBL10143415 0.83 CTSS (0.42) TLR2SIRT2SIRT1SIRT3MDM2

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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