SCHEMBL21879809

SCHEMBL21879809

COC(=O)[C@H](CCCNC(=N)N)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.44
▸ NPY1R P25929 5/20 0.44
▸ FOLH1 Q04609 1/20 0.41
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ PDF Q9HBH1 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL21879811 0.90 KMT2A (0.42) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL5807981 0.88 NPY4R (0.44) NPY4RNPY1RFOLH1CA1CA2
SCHEMBL2390736 0.88 NPY4R (0.44) NPY4RNPY1RFOLH1CA1CA2
Hydrochloric Acid SCHEMBL11506342 0.87 NPY4R (0.44) NPY4RNPY1RFOLH1CA1CA2
SCHEMBL17015152 0.85 NPY4R (0.50) NPY4RNPY1RFOLH1NPY2RNPY5R
SCHEMBL15267479 0.85 NPY4R (0.43) NPY4RNPY1RFOLH1CA1CA2
SCHEMBL18465137 0.85 NPY4R (0.43) NPY4RNPY1RFOLH1NPY2RNPY5R
SCHEMBL23048407 0.84 NPY4R (0.43) NPY4RNPY1RFOLH1CA1CA2
SCHEMBL13949746 0.84 NPY4R (0.43) NPY4RNPY1RFOLH1CA1CA2
SCHEMBL8005035 0.84 NPY4R (0.43) NPY4RNPY1RFOLH1CA1CA2

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
WO-2020085843-A1 METHOD FOR PREDICTING PROGNOSIS OF ISCHEMIC DISEASE 가천대학교 산학협력단 2020-04-30 — — WO disclosed
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