SCHEMBL17424364

SCHEMBL17424364

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.40
F2 P00734 1/20 0.37
NPY5R Q15761 6/20 0.36
NPY1R P25929 5/20 0.36
NPY4R P50391 5/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
QRFPR Q96P65 1/20 0.35
FURIN P09958 5/20 0.35
NPY2R P49146 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
KEAP1 Q14145 1/20 0.34
KISS1R Q969F8 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
SCHEMBL12035268 0.88 NPY4R (0.46) SIRT5F2NPY5RNPY1RNPY4R
SCHEMBL17424369 0.85 SIRT5 (0.44) SIRT5NPY5RNPY1RNPY4RSIRT6
SCHEMBL17424367 0.83 SIRT5 (0.45) SIRT5SIRT6SIRT1QRFPRFURIN
SCHEMBL17424361 0.83 SIRT5 (0.45) SIRT5SIRT6SIRT1FURINSIRT2
SCHEMBL17424366 0.82 KISS1R (0.47) SIRT5NPY5RNPY1RNPY4RSIRT6
SCHEMBL17424365 0.82 SIRT5 (0.44) SIRT5SIRT6SIRT1FURINSIRT2
SCHEMBL17424360 0.82 SIRT5 (0.44) SIRT5NPY5RNPY1RNPY4RSIRT6
SCHEMBL17424409 0.81 NPY4R (0.40) SIRT5NPY5RNPY1RNPY4RFURIN
SCHEMBL17424379 0.81 SIRT5 (0.42) SIRT5SIRT6SIRT1FURINSIRT2
SCHEMBL17424441 0.80 NPY5R (0.42) NPY5RNPY1RNPY4RFURINNPY2R

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