SCHEMBL14004871

SCHEMBL14004871

CNCCC[C@@H](CNC(=O)[C@H](CCCNC(=O)CCN)NC)NC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ KISS1R Q969F8 1/20 0.33
▸ TLR2 O60603 3/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ CACNA1B Q00975 2/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ SLC6A5 Q9Y345 2/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14004908 0.97 SIRT1 (0.38) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL14004799 0.91 KISS1R (0.35) KISS1RCACNA1BNOD1ALDH1A1
SCHEMBL14004855 0.90 KISS1R (0.34) SIRT6SIRT1KISS1RCACNA1BDPP7
SCHEMBL14004819 0.88 CASP2 (0.33) SIRT6SIRT1KISS1RCACNA1BALDH1A1
SCHEMBL14004909 0.88 SIRT6 (0.42) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL14004844 0.88 SIRT6 (0.39) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL14004840 0.88 SIRT6 (0.38) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL14004854 0.87 SIRT6 (0.37) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL14004708 0.87 SIRT6 (0.43) SIRT6SIRT1NMT2NMT1KISS1R
SCHEMBL13997055 0.86 TLR2 (0.39) KISS1RTLR2DPP7SLC6A5RRM1

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SIRT6 126/4885SIRT1 276/4885NMT2 2660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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