SCHEMBL29679551

SCHEMBL29679551

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.46
▸ NMT1 P30419 1/20 0.46
▸ FOLH1 Q04609 4/20 0.46
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.41
▸ CPB2 Q96IY4 3/20 0.40
▸ TASP1 Q9H6P5 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL31314472 0.97 FOLH1 (0.47) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29378561 0.93 NMT2 (0.48) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29679789 0.92 FOLH1 (0.48) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL31094979 0.92 NPY4R (0.48) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29473878 0.92 NMT2 (0.47) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29590481 0.91 NPY4R (0.48) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29592591 0.91 NMT1 (0.52) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL29630455 0.90 NPY4R (0.47) NMT2NMT1FOLH1NPY1RNPY2R
SCHEMBL30286850 0.90 FOLH1 (0.51) FOLH1NPY1RNPY2RNPY4RGRIN2D
SCHEMBL31343260 0.90 NPY4R (0.51) NMT2NMT1FOLH1NPY1RNPY2R

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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