SCHEMBL29679678

SCHEMBL29679678

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](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)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 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.53
▸ BACE1 P56817 13/20 0.47
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ CTSD P07339 3/20 0.45
▸ BACE2 Q9Y5Z0 2/20 0.45
▸ 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
▸ EGFR P00533 1/20 0.43

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 1.00 FOLH1 (0.53) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL30286850 0.97 FOLH1 (0.51) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL29680077 0.97 FOLH1 (0.51) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL29679880 0.96 FOLH1 (0.53) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL31097692 0.96 FOLH1 (0.58) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL31097709 0.96 FOLH1 (0.58) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL31097730 0.96 FOLH1 (0.58) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL31097742 0.96 FOLH1 (0.58) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL31097663 0.96 FOLH1 (0.58) FOLH1BACE1NPY1RNPY2RNPY4R
SCHEMBL29616369 0.95 BACE1 (0.50) FOLH1BACE1CTSDBACE2GRIN2D

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
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 claimed
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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