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SCHEMBL29680141

SCHEMBL29680141

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.57
▸ NPY4R P50391 8/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ NPY1R P25929 6/20 0.57
▸ CALCRL Q16602 1/20 0.54
▸ F2 P00734 1/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ NTSR1 P30989 2/20 0.53
▸ NTSR2 O95665 1/20 0.53

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
SCHEMBL29679909 0.98 NPY2R (0.56) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30571128 0.93 CALCRL (0.57) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL30571139 0.92 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RCALCRL
SCHEMBL29679939 0.92 SLC6A2 (0.57) CALCRLAGTR1AGTR2NTSR1NTSR2
SCHEMBL29679507 0.91 SLC6A2 (0.61) CALCRLAGTR1AGTR2
SCHEMBL30428637 0.89 CALCR (0.66) NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL29679999 0.88 CALCRL (0.55) CALCRLF2AGTR1AGTR2
SCHEMBL29680100 0.86 F2 (0.56) CALCRLF2
SCHEMBL29903290 0.86 CALCRL (0.57) CALCRLAGTR1AGTR2
SCHEMBL30338334 0.84 NPY1R (0.55) NPY2RNPY4RNPY5RNPY1RF2

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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