SCHEMBL8515469

SCHEMBL8515469

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 10/20 0.39
NLN Q9BYT8 1/20 0.37
METAP2 P50579 3/20 0.36
METAP1 P53582 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
SCHEMBL9242008 0.91 NLN (0.41) PIN1NLNMETAP2METAP1
SCHEMBL8513563 0.86 CCKBR (0.39) PIN1METAP2
SCHEMBL16576436 0.79 PIN1 (0.46) PIN1
SCHEMBL18064448 0.79 PIN1 (0.46) PIN1
SCHEMBL11224178 0.79 SLC15A2 (0.43) PIN1
SCHEMBL7380348 0.79 PIN1 (0.47) PIN1
SCHEMBL6856397 0.78 NAMPT (0.42)
SCHEMBL10586739 0.77 PIN1 (0.59) PIN1
SCHEMBL10586736 0.77 PIN1 (0.59) PIN1
SCHEMBL24525829 0.77 ERAP2 (0.35)

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