SCHEMBL29679913

SCHEMBL29679913

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.41
▸ C5AR1 P21730 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ GLP1R P43220 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ SCTR P47872 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ BACE1 P56817 7/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ CTSD P07339 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ CALCR P30988 2/20 0.39

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
SCHEMBL30032557 0.90 CTSB (0.44) BACE1BACE2
SCHEMBL30539513 0.88 BACE1 (0.40) FURINC5AR1NPY1RNPY2RNPY4R
SCHEMBL29937026 0.88 ERAP2 (0.46) NPY1RNPY2RNPY4R
SCHEMBL31257981 0.88 OPRD1 (0.44) —
SCHEMBL31241621 0.88 OPRD1 (0.44) —
SCHEMBL29748370 0.88 MC4R (0.45) C5AR1MC4RGLP1RSCTR
SCHEMBL29937046 0.87 ERAP2 (0.47) NPY1RNPY2RNPY4R
SCHEMBL29937022 0.87 ERAP2 (0.47) NPY1RNPY2RNPY4R
SCHEMBL30906004 0.87 ERAP2 (0.44) NPY1RNPY2RNPY4R
SCHEMBL30425532 0.87 MC4R (0.45) MC4RGLP1RSCTRCALCR

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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