SCHEMBL29679880

SCHEMBL29679880

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.53
▸ ERAP2 Q6P179 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ BACE1 P56817 6/20 0.44
▸ NOD1 Q9Y239 1/20 0.42
▸ CPB2 Q96IY4 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ BACE2 Q9Y5Z0 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
SCHEMBL29679867 0.96 FOLH1 (0.53) FOLH1NPY1RNPY2RNPY4RGRIN2D
SCHEMBL29679678 0.96 FOLH1 (0.53) FOLH1NPY1RNPY2RNPY4RGRIN2D
SCHEMBL29774692 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30807971 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30785146 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL31484226 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL30662327 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL29774660 0.96 FOLH1 (0.58) FOLH1ERAP2ERAP1LNPEPNPY1R
SCHEMBL29680077 0.94 FOLH1 (0.51) FOLH1NPY1RNPY2RNPY4RGRIN2D
SCHEMBL31211799 0.94 ERAP2 (0.51) FOLH1ERAP2ERAP1LNPEPNPY1R

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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