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Sugi Predict / Compounds / SCHEMBL1661055

SCHEMBL1661055

SCHEMBL1661055

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.55
▸ NPY1R P25929 9/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ PTPN1 P18031 5/20 0.54

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
SCHEMBL1661334 0.96 PTPN1 (0.60) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL17495216 0.93 PTPN1 (0.53) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL29666861 0.92 PTPN1 (0.51) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL8367009 0.91 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL29384753 0.90 PTPN1 (0.49) PTPN1
SCHEMBL29797013 0.90 PTPN1 (0.49) PTPN1
SCHEMBL30150304 0.90 PTPN1 (0.49) PTPN1
SCHEMBL31119413 0.88 KMT2A (0.50) PTPN1
SCHEMBL31593031 0.88 PTPN1 (0.46) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL1660343 0.87 CTSL (0.64) NPY4RNPY1RNPY5RNPY2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO claimed
US-20140128330-A1 METHOD OF DIAGNOSIS AND PROGNOSIS IMPERIAL INNOVATIONS LIMITED (GB) 2014-05-08 — — US disclosed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 — — WO disclosed