SCHEMBL1660331

SCHEMBL1660331

COc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 16/20 0.58
NPY1R P25929 10/20 0.58
NPY5R Q15761 9/20 0.58
NPY2R P49146 6/20 0.58
PTPN1 P18031 3/20 0.53
PTPN2 P17706 2/20 0.53
PTPN9 P43378 1/20 0.50

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
SCHEMBL1662115 0.96 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL1661913 0.87 ROCK2 (0.52) PTPN1PTPN2
SCHEMBL7532875 0.83 KISS1R (0.54) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL17495218 0.83 PTPN1 (0.49) NPY4RNPY1RNPY5RNPY2RPTPN1
SCHEMBL17359203 0.82 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12794641 0.82 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18951648 0.82 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL17356289 0.82 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13563457 0.82 NPY4R (0.68) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29641080 0.81 NPY4R (0.80) 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