SCHEMBL5814333

SCHEMBL5814333

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ NPY4R P50391 12/20 0.38
▸ NPY1R P25929 9/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.36
▸ NPY5R Q15761 8/20 0.36
▸ NPY2R P49146 5/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL5814337 1.00 SIRT6 (0.39) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL6001275 0.89 SIRT6 (0.41) SIRT6SIRT1SIRT5CHRM2CHRM4
SCHEMBL2390736 0.87 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5807981 0.87 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
Hydrochloric Acid SCHEMBL11506342 0.86 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5812133 0.84 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL28406173 0.84 SIRT6 (0.40) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5812127 0.84 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5807639 0.82 SIRT6 (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL16905640 0.82 SIRT6 (0.39) SIRT6SIRT1NPY4RNPY1RSIRT5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US disclosed
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