SCHEMBL17424430

SCHEMBL17424430

C=C(N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.47
PADI1 Q9ULC6 4/20 0.43
PADI4 Q9UM07 4/20 0.43
PDE4A P27815 3/20 0.43
PADI2 Q9Y2J8 3/20 0.43
PADI3 Q9ULW8 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PADI6 Q6TGC4 1/20 0.43
ROCK2 O75116 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
NPY5R Q15761 3/20 0.41
NPY1R P25929 3/20 0.41
NPY4R P50391 2/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL12035478 0.89 NPY4R (0.51) KISS1RPADI1PADI4PDE4APADI2
SCHEMBL17424445 0.85 NPY5R (0.43) KISS1RGRIN1GRIN2ANPY5RNPY1R
SCHEMBL17424409 0.83 NPY4R (0.40) NPY5RNPY1RNPY4R
SCHEMBL17424369 0.82 SIRT5 (0.44) KISS1RNPY5RNPY1RNPY4R
SCHEMBL17424377 0.81 KISS1R (0.57) KISS1RNPY5RNPY1RNPY4R
SCHEMBL17424416 0.80 SIRT1 (0.45) KISS1RSMN1; SMN2
SCHEMBL17424438 0.80 NPY1R (0.42) KISS1RNPY5RNPY1RNPY4RSMN1; SMN2
SCHEMBL17424422 0.80 NPY4R (0.38) KISS1RNPY5RNPY1RNPY4R
SCHEMBL17424417 0.79 CA1 (0.46) KISS1RPADI4NPY5RNPY1RNPY4R
SCHEMBL17424378 0.79 KISS1R (0.57) KISS1RNPY5RNPY1RNPY4R

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