SCHEMBL8513563

SCHEMBL8513563

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
PIN1 Q13526 7/20 0.38
DHFR P00374 2/20 0.37
FOLH1 Q04609 1/20 0.37
METAP2 P50579 1/20 0.37
PTPN1 P18031 1/20 0.37
PPARG P37231 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL8515469 0.86 PIN1 (0.39) PIN1METAP2
SCHEMBL9242008 0.83 NLN (0.41) PIN1METAP2
SCHEMBL11224178 0.80 SLC15A2 (0.43) CCKBRPIN1
SCHEMBL731316 0.80 METAP2 (0.50) CCKBRDHFRMETAP2PPARGNR1H4
SCHEMBL16576436 0.79 PIN1 (0.46) PIN1
SCHEMBL18064448 0.79 PIN1 (0.46) PIN1
SCHEMBL31453841 0.79 DPP4 (0.39)
SCHEMBL29420173 0.79 NAALAD2 (0.49)
SCHEMBL2780879 0.79 DPP4 (0.40) FOLH1
SCHEMBL17768459 0.79 DPP4 (0.40) FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3269822-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2018-01-17 EP disclosed
EP-2643471-B1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES CO (US) 2017-08-30 EP disclosed
US-9435739-B2 Methods and compositions to detect a biological activity 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 US disclosed
EP-2643471-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2013-10-02 EP disclosed
US-20130230876-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-05 US disclosed
WO-2012071131-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-31 WO disclosed