SCHEMBL24860342

SCHEMBL24860342

CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
NPY4R P50391 13/20 0.40
NPY5R Q15761 8/20 0.40
NPY1R P25929 8/20 0.40
NPY2R P49146 5/20 0.40
SIRT5 Q9NXA8 1/20 0.37
FOLH1 Q04609 1/20 0.36
ALB P02768 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 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
SCHEMBL1886040 0.90 FOLH1 (0.47) F2NPY4RNPY5RNPY1RNPY2R
SCHEMBL18250195 0.89 NPY4R (0.39) F2NPY4RNPY5RNPY1RNPY2R
SCHEMBL16656670 0.89 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RALB
SCHEMBL15354283 0.88 NPY4R (0.38) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL12035268 0.87 NPY4R (0.46) F2NPY4RNPY5RNPY1RNPY2R
SCHEMBL14615959 0.86 SIRT6 (0.44) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL20631639 0.85 NPY4R (0.38) NPY4RNPY5RNPY1RNPY2RALB
SCHEMBL24157931 0.85 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL18264761 0.84 NPY4R (0.46) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL16501504 0.83 NOD1 (0.49) NPY4RNPY5RNPY1RNPY2RSIRT6

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
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed