SCHEMBL17424409

SCHEMBL17424409

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 8/20 0.40
NPY5R Q15761 6/20 0.40
NPY1R P25929 6/20 0.40
SIRT5 Q9NXA8 3/20 0.37
SIRT2 Q8IXJ6 2/20 0.35
NPY2R P49146 3/20 0.35
FURIN P09958 5/20 0.35
NMT2 O60551 1/20 0.33
NMT1 P30419 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
SCHEMBL17424369 0.91 SIRT5 (0.44) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL17424422 0.89 NPY4R (0.38) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL17424441 0.88 NPY5R (0.42) NPY4RNPY5RNPY1RNPY2RFURIN
SCHEMBL17424425 0.88 NPY5R (0.38) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL12035445 0.87 NPY4R (0.51) NPY4RNPY5RNPY1RSIRT5NPY2R
SCHEMBL17424420 0.87 NPY5R (0.43) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL17424421 0.86 CDYL2 (0.39) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL17424413 0.86 NPY5R (0.44) NPY4RNPY5RNPY1RSIRT5SIRT2
SCHEMBL17424424 0.84 CDYL2 (0.41) NPY4RNPY5RNPY1RSIRT5
SCHEMBL17424367 0.84 SIRT5 (0.45) SIRT5SIRT2FURINNMT2NMT1

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