SCHEMBL17424441

SCHEMBL17424441

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.42
NPY1R P25929 3/20 0.42
NPY4R P50391 3/20 0.42
FURIN P09958 6/20 0.36
NPY2R P49146 1/20 0.36
REN P00797 1/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35

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
SCHEMBL12035454 0.88 NPY4R (0.52) NPY5RNPY1RNPY4RNPY2R
SCHEMBL17424409 0.88 NPY4R (0.40) NPY5RNPY1RNPY4RFURINNPY2R
SCHEMBL17424420 0.87 NPY5R (0.43) NPY5RNPY1RNPY4RFURINNPY2R
SCHEMBL17424369 0.86 SIRT5 (0.44) NPY5RNPY1RNPY4RFURIN
SCHEMBL17424413 0.86 NPY5R (0.44) NPY5RNPY1RNPY4RFURINNPY2R
SCHEMBL17424422 0.84 NPY4R (0.38) NPY5RNPY1RNPY4RFURINNPY2R
SCHEMBL17424425 0.83 NPY5R (0.38) NPY5RNPY1RNPY4RFURINNPY2R
SCHEMBL17424428 0.82 NMT1 (0.39) NPY5RNPY1RNPY4RNMT2NMT1
SCHEMBL17424445 0.82 NPY5R (0.43) NPY5RNPY1RNPY4RFURIN
SCHEMBL17424421 0.81 CDYL2 (0.39) NPY5RNPY1RNPY4RFURIN

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