SCHEMBL1650994

SCHEMBL1650994

CC(C)C[C@@H]([C]=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 2/20 0.39
LNPEP Q9UIQ6 2/20 0.39
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP4 P27487 1/20 0.37
FURIN P09958 1/20 0.37
PCSK6 P29122 1/20 0.37
OPRK1 P41145 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NPY4R P50391 4/20 0.35
NPY1R P25929 3/20 0.35

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
SCHEMBL2193414 0.91 OPRK1 (0.42) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2182039 0.91 OPRK1 (0.42) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2195069 0.91 OPRK1 (0.42) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2182536 0.91 OPRK1 (0.42) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2182926 0.91 OPRK1 (0.42) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2196205 0.86 NMT1 (0.43) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL2190396 0.86 NPY4R (0.43) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL31211799 0.86 ERAP2 (0.51) NMT2NMT1ERAP2ERAP1LNPEP
SCHEMBL16468902 0.85 NPY4R (0.51) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL2196613 0.85 DPP4 (0.41) DPP8DPP9DPP4BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed