SCHEMBL7565866

SCHEMBL7565866

CCCCCCCCC(N)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.78
▸ GNAO1 P09471 1/20 0.78
▸ GNAI1 P63096 1/20 0.78
▸ NOD1 Q9Y239 5/20 0.67
▸ RRM1 P23921 1/20 0.64
▸ SIRT6 Q8N6T7 1/20 0.63
▸ SIRT1 Q96EB6 1/20 0.63
▸ DPP7 Q9UHL4 4/20 0.62
▸ TLR2 O60603 5/20 0.57
▸ SLC6A5 Q9Y345 1/20 0.52
▸ DPP8 Q6V1X1 2/20 0.51
▸ DPP9 Q86TI2 2/20 0.51
▸ DPP4 P27487 1/20 0.46

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
SCHEMBL22991807 0.91 GNAI3 (0.80) GNAI3GNAO1GNAI1NOD1RRM1
SCHEMBL18714091 0.91 GNAI3 (0.60) GNAI3GNAO1GNAI1NOD1RRM1
SCHEMBL29709941 0.91 NOD1 (0.68) GNAI3GNAO1GNAI1NOD1RRM1
SCHEMBL16863682 0.90 NOD1 (0.71) GNAI3GNAO1GNAI1NOD1RRM1
SCHEMBL16301980 0.88 GNAI3 (0.58) GNAI3GNAO1GNAI1NOD1RRM1
SCHEMBL25169012 0.88 DPP7 (0.63) GNAI3GNAO1GNAI1NOD1SIRT6
SCHEMBL29570054 0.88 DPP7 (0.63) GNAI3GNAO1GNAI1NOD1SIRT6
SCHEMBL28157777 0.88 DPP7 (0.63) GNAI3GNAO1GNAI1NOD1SIRT6
SCHEMBL25169014 0.88 DPP7 (0.63) GNAI3GNAO1GNAI1NOD1SIRT6
N-Dodecyl Lysine Amide SCHEMBL22719981 0.88 GNAI3 (1.00) GNAI3GNAO1GNAI1NOD1RRM1

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-2002070545-A2 SIDEROPHORE ANALOGUES AS TETRA- OR HEXADENTATE IRON CHELATORS ON THE BASIS OF AMINO ACIDS OR PEPTIDES, METHOD FOR PRODUCING THEM AND THE USE THEREOF Grünenthal GmbH (DE) 2002-09-12 — — WO disclosed
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