SCHEMBL30165601

SCHEMBL30165601

NC(N)=NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.63
▸ ERAP1 Q9NZ08 2/20 0.63
▸ LNPEP Q9UIQ6 2/20 0.63
▸ NPY1R P25929 3/20 0.62
▸ NPY2R P49146 3/20 0.62
▸ NPY4R P50391 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ MC4R P32245 2/20 0.56
▸ MC5R P33032 2/20 0.56
▸ MC3R P41968 2/20 0.56
▸ MC1R Q01726 2/20 0.56

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
SCHEMBL29738307 1.00 ERAP2 (0.63) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29390038 0.94 NPY1R (0.67) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29350955 0.93 NPY1R (0.57) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29924773 0.92 ERAP2 (0.73) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29738308 0.92 ERAP2 (0.73) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29392504 0.90 NPY1R (0.75) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29426680 0.89 NPY1R (0.68) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29373777 0.88 NPY1R (0.74) ERAP2ERAP1LNPEPNPY1RNPY2R
SCHEMBL29406743 0.87 KDM4E (0.62) KDM4EMEN1LMNAMPOMAPT
SCHEMBL1387764 0.86 KDM4E (0.61) KDM4EMEN1LMNAMPOMAPT

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
CN-115554413-A Tryptophan dipeptide-based self-assembly nano composition and preparation method and application thereof 南开大学 2023-01-03 — — CN disclosed
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