SCHEMBL17424428

SCHEMBL17424428

C=C(N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)CC1CCCC1)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 8/20 0.39
NMT2 O60551 7/20 0.39
NPY5R Q15761 3/20 0.37
NPY1R P25929 2/20 0.37
NPY4R P50391 2/20 0.37
TSHR P16473 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRM1 Q13255 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CTSD P07339 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34

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
SCHEMBL12035472 0.90 NPY4R (0.46) NMT1NMT2NPY5RNPY1RNPY4R
SCHEMBL17424424 0.83 CDYL2 (0.41) NPY5RNPY1RNPY4RCHRNB2CHRNB4
SCHEMBL17424421 0.83 CDYL2 (0.39) NPY5RNPY1RNPY4RTSHRCHRNB2
SCHEMBL17424441 0.82 NPY5R (0.42) NMT1NMT2NPY5RNPY1RNPY4R
SCHEMBL17424409 0.82 NPY4R (0.40) NMT1NMT2NPY5RNPY1RNPY4R
SCHEMBL17424420 0.81 NPY5R (0.43) NMT1NMT2NPY5RNPY1RNPY4R
SCHEMBL17424369 0.81 SIRT5 (0.44) NPY5RNPY1RNPY4R
SCHEMBL17424413 0.81 NPY5R (0.44) NMT1NMT2NPY5RNPY1RNPY4R
SCHEMBL17424422 0.79 NPY4R (0.38) NPY5RNPY1RNPY4R
SCHEMBL17424362 0.78 SMN1; SMN2 (0.39) NMT1NMT2TSHRCPB2

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