SCHEMBL30547470

SCHEMBL30547470

C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.54
▸ CCKBR P32239 7/20 0.54
▸ CCKAR P32238 6/20 0.54
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ CHRND Q07001 5/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ NPPA P01160 1/20 0.47
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ ECE1 P42892 1/20 0.47

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
SCHEMBL24516989 0.90 F2 (0.56) OPRD1CCKBRCCKARCHRNDCHRNA1
SCHEMBL31415945 0.89 CD40 (0.52) OPRD1CCKBRCCKARNPY1RNPY2R
SCHEMBL29816684 0.87 NAALAD2 (0.54) OPRD1CCKBRCCKAROPRM1OPRK1
SCHEMBL31650552 0.87 NAALAD2 (0.58) NPY1RNPY2RNPY4RCHRNDCHRNA1
SCHEMBL30350802 0.87 OPRD1 (0.53) OPRD1CCKBRCCKAROPRM1OPRK1
SCHEMBL31415958 0.86 OPRD1 (0.50) OPRD1CCKBRCCKAROPRM1OPRK1
SCHEMBL5049208 0.85 NPY4R (0.59) NPY1RNPY2RNPY4R
SCHEMBL29518715 0.85 NPY4R (0.56) OPRD1CCKBRCCKARNPY1RNPY2R
SCHEMBL31415939 0.85 OPRM1 (0.53) OPRD1NPY1RNPY2RNPY4ROPRM1
SCHEMBL24504179 0.84 F2 (0.54) OPRD1CCKBRCCKARCHRNDOPRM1

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
EP-4011901-B1 METHOD FOR THE FMOC GROUP CLEAVAGE FRESENIUS KABI IPSUM S R L (IT) 2023-08-30 — — EP disclosed
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