SCHEMBL21782661

SCHEMBL21782661

C=C(NC(CCCNC(=N)N)C(=O)OC)C(I)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.41
▸ NPY1R P25929 7/20 0.41
▸ FOLH1 Q04609 1/20 0.34
▸ NPY5R Q15761 6/20 0.32
▸ NPY2R P49146 3/20 0.32
▸ ERAP1 Q9NZ08 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ SIRT1 Q96EB6 1/20 0.30
▸ SIRT3 Q9NTG7 1/20 0.30

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
SCHEMBL21782583 0.82 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RERAP1
SCHEMBL21782713 0.82 NPY4R (0.38) NPY4RNPY1RNPY5RNPY2RTSHR
SCHEMBL26962723 0.82 NPY4R (0.42) NPY4RNPY1RFOLH1NPY5RNPY2R
SCHEMBL2390736 0.81 NPY4R (0.44) NPY4RNPY1RFOLH1NPY5RNPY2R
SCHEMBL21879809 0.81 NPY4R (0.44) NPY4RNPY1RFOLH1NPY5RNPY2R
SCHEMBL5807981 0.81 NPY4R (0.44) NPY4RNPY1RFOLH1NPY5RNPY2R
Hydrochloric Acid SCHEMBL11506342 0.80 NPY4R (0.44) NPY4RNPY1RFOLH1NPY5RNPY2R
SCHEMBL28883698 0.79 NPY4R (0.42) NPY4RNPY1RFOLH1TSHRCA1
SCHEMBL28883697 0.79 NPY4R (0.42) NPY4RNPY1RFOLH1TSHRCA1
SCHEMBL18465137 0.79 NPY4R (0.43) NPY4RNPY1RFOLH1NPY5RNPY2R

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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