SCHEMBL17424366

SCHEMBL17424366

C=C(N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 0.47
SIRT5 Q9NXA8 2/20 0.44
NPY4R P50391 13/20 0.44
NPY1R P25929 9/20 0.44
NPY5R Q15761 8/20 0.44
NPY2R P49146 5/20 0.43
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL17424367 0.89 SIRT5 (0.45) KISS1RSIRT5SIRT6SIRT1
SCHEMBL17424361 0.89 SIRT5 (0.45) KISS1RSIRT5SIRT6SIRT1
SCHEMBL17424369 0.89 SIRT5 (0.44) KISS1RSIRT5NPY4RNPY1RNPY5R
SCHEMBL17424360 0.88 SIRT5 (0.44) KISS1RSIRT5NPY4RNPY1RNPY5R
SCHEMBL17424388 0.88 NPY4R (0.46) KISS1RSIRT5NPY4RNPY1RNPY5R
SCHEMBL12035277 0.88 NPY4R (0.55) KISS1RSIRT5NPY4RNPY1RNPY5R
SCHEMBL17424365 0.86 SIRT5 (0.44) KISS1RSIRT5SIRT6SIRT1
SCHEMBL17424379 0.85 SIRT5 (0.42) SIRT5SIRT6SIRT1
SCHEMBL17424409 0.83 NPY4R (0.40) SIRT5NPY4RNPY1RNPY5RNPY2R
SCHEMBL16297739 0.82 KISS1R (0.41) KISS1RSIRT5NPY4RNPY1RNPY5R

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-9233086-B2 Inhibition of WDR5 interaction with its binding partners THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-01-12 US disclosed