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SCHEMBL29679486

SCHEMBL29679486

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.49
▸ NPY1R P25929 9/20 0.49
▸ NPY5R Q15761 8/20 0.49
▸ NPY2R P49146 5/20 0.49
▸ BACE1 P56817 3/20 0.44
▸ KISS1R Q969F8 1/20 0.41

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
SCHEMBL29679921 1.00 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29679862 0.97 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30837494 0.95 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30173860 0.94 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30785954 0.93 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29630593 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30973947 0.93 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL29517581 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RBACE1
SCHEMBL30903466 0.92 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30570975 0.92 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RBACE1

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