SCHEMBL23514654

SCHEMBL23514654

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ DPP7 Q9UHL4 2/20 0.41
▸ RRM1 P23921 1/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ NPY4R P50391 7/20 0.35
▸ NPY1R P25929 5/20 0.35
▸ NPY2R P49146 5/20 0.35
▸ NPY5R Q15761 5/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL27115457 0.93 DPP7 (0.50) SIRT6SIRT1DPP7RRM1GNAI3
SCHEMBL16263587 0.88 SIRT6 (0.42) SIRT6SIRT1DPP7RRM1CACNA1B
SCHEMBL16263589 0.88 SIRT6 (0.45) SIRT6SIRT1DPP7RRM1CACNA1B
SCHEMBL16260299 0.85 SIRT6 (0.40) SIRT6SIRT1DPP7RRM1GNAI3
SCHEMBL16263592 0.84 SIRT6 (0.39) SIRT6SIRT1DPP7RRM1CACNA1B
SCHEMBL16263588 0.84 DNM1 (0.36) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL16656681 0.84 SIRT6 (0.35) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL25677222 0.82 CACNA1B (0.36) SIRT6SIRT1CACNA1BNPY4RNPY1R
SCHEMBL8120411 0.82 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R
SCHEMBL26429269 0.82 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R

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-20210181206-A1 Development of a Novel Mass Spectrometry-Based Method for Simultaneous Qualitative and Quantitative Protein Citrullination Analysis of Complex Biological Samples WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-06-17 — — US disclosed
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