SCHEMBL29679795

SCHEMBL29679795

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.49
▸ NPY1R P25929 6/20 0.49
▸ NPY2R P49146 5/20 0.49
▸ NPY5R Q15761 5/20 0.49
▸ OPRD1 P41143 8/20 0.46
▸ OPRM1 P35372 7/20 0.46
▸ OPRK1 P41145 2/20 0.46

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
SCHEMBL29679826 0.97 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL29679932 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30692724 0.93 OPRD1 (0.53) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30084370 0.91 QRFPR (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL31256982 0.91 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29630522 0.90 OPRD1 (0.49) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL31512208 0.89 OPRD1 (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30731371 0.89 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R
Opiorphin SCHEMBL23133188 0.88 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R
Opiorphin SCHEMBL20257129 0.88 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R

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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