SCHEMBL29679754

SCHEMBL29679754

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.54
▸ OPRD1 P41143 5/20 0.54
▸ NPY4R P50391 5/20 0.46
▸ NPY1R P25929 3/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ OPRK1 P41145 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ IL1RN P18510 2/20 0.42
▸ ERAP2 Q6P179 2/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 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
SCHEMBL29519563 0.95 OPRM1 (0.50) OPRM1OPRD1NPY4RNPY1RNPY2R
SCHEMBL31020880 0.90 NPY1R (0.49) OPRM1OPRD1NPY4RNPY1RNPY2R
SCHEMBL30123081 0.88 OPRM1 (0.65) OPRM1OPRD1NPY4RNPY1RNPY2R
SCHEMBL31020881 0.87 NPY4R (0.49) OPRD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29815237 0.87 NPY4R (0.51) OPRM1OPRD1NPY4RNPY1RNPY2R
SCHEMBL30656916 0.86 MMP1 (0.48) NPY4RNPY1RNPY2RNPY5RIL1RN
SCHEMBL15272522 0.86 OPRM1 (0.50) OPRM1OPRD1ACE
SCHEMBL15272531 0.86 OPRM1 (0.50) OPRM1OPRD1ACE
SCHEMBL29531463 0.86 OPRD1 (0.46) OPRM1OPRD1NPY4RNPY1RNPY2R
SCHEMBL30843955 0.86 OPRD1 (0.46) OPRM1OPRD1NPY4RNPY1RNPY2R

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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