SCHEMBL29680077

SCHEMBL29680077

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.51
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ BACE1 P56817 10/20 0.46
▸ CTSD P07339 2/20 0.44
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.42

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 0.97 FOLH1 (0.53) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL29679678 0.97 FOLH1 (0.53) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL30388451 0.95 NPY4R (0.51) FOLH1NPY1RNPY2RNPY4RNOD1
SCHEMBL31343260 0.95 NPY4R (0.51) FOLH1NPY1RNPY2RNPY4RNOD1
SCHEMBL31097691 0.95 FOLH1 (0.56) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL31097666 0.95 FOLH1 (0.56) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL31097720 0.95 FOLH1 (0.56) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL29679880 0.94 FOLH1 (0.53) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL29452578 0.94 FOLH1 (0.57) FOLH1NPY1RNPY2RNPY4RBACE1
SCHEMBL30286850 0.93 FOLH1 (0.51) FOLH1NPY1RNPY2RNPY4RBACE1

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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