SCHEMBL23316432

SCHEMBL23316432

C=C(NC(CCCNC(N)=O)C(=O)NCCN)C(CCCNC)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ NMT2 O60551 2/20 0.34
▸ NMT1 P30419 2/20 0.34
▸ CACNA1B Q00975 2/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ TLR2 O60603 2/20 0.32
▸ RRM1 P23921 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ KISS1R Q969F8 1/20 0.31
▸ GNAI3 P08754 1/20 0.31
▸ GNAO1 P09471 1/20 0.31
▸ GNAI1 P63096 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ GRIN1 Q05586 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
SCHEMBL14004700 0.84 SIRT6 (0.42) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL16263587 0.76 SIRT6 (0.42) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL14002759 0.75 KISS1R (0.43) SIRT6SIRT1CACNA1BDPP7TLR2
SCHEMBL14002740 0.75 KISS1R (0.43) SIRT6SIRT1CACNA1BDPP7TLR2
SCHEMBL14002552 0.74 KISS1R (0.40) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL13997045 0.73 KISS1R (0.44) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL14004873 0.73 SIRT6 (0.40) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL14004844 0.73 SIRT6 (0.39) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL14004909 0.73 SIRT6 (0.42) SIRT6SIRT1NMT2NMT1CACNA1B
SCHEMBL17232578 0.72 FURIN (0.39) SIRT6SIRT1NMT2NMT1CACNA1B

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-3426673-B1 PEPTOID AFFINITY LIGANDS MIKE ANN LLC (US) 2021-05-05 — — EP disclosed
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