SCHEMBL11274256

SCHEMBL11274256

NC(=O)NNOC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC15A1 P46059 2/20 0.46
LTA4H P09960 1/20 0.44
CTSC P53634 1/20 0.43
POLB P06746 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
TYR P14679 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
SRR Q9GZT4 1/20 0.41

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
SCHEMBL788933 0.86 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4461997 0.81 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9711285 0.81 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9364023 0.79 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2785098 0.78 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL366884 0.78 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6770150 0.78 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14876594 0.78 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
Carbamic Acid SCHEMBL13836019 0.78 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL186022 0.77 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337247-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-06-29 US disclosed
EP-0031567-A2 Tetrapeptidesemicarbazide derivatives and their production and use Takeda Chemical Industries, Ltd. (JP) 1981-07-08 EP disclosed