SCHEMBL27849228

SCHEMBL27849228

CC(C)CC(NC(=O)C(C)N(C(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.48
▸ MMP2 P08253 1/20 0.45
▸ OPRM1 P35372 5/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ NPY4R P50391 2/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY5R Q15761 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
SCHEMBL27849221 0.91 OPRD1 (0.44) OPRD1MMP2OPRM1OPRK1NPY4R
SCHEMBL1372389 0.86 OPRD1 (0.55) OPRD1MMP2OPRM1OPRK1
SCHEMBL1371080 0.82 OPRD1 (0.48) OPRD1MMP2OPRM1OPRK1NPY4R
SCHEMBL31222390 0.77 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31222395 0.77 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31222407 0.77 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5R
SCHEMBL17147126 0.75 NPY4R (0.59) OPRD1NPY4RNPY1RNPY2RNPY5R
[Leu5]Enkephalin SCHEMBL29687098 0.75 OPRD1 (0.67) OPRD1OPRM1OPRK1
[Leu5]Enkephalin SCHEMBL17951964 0.75 OPRD1 (0.67) OPRD1OPRM1OPRK1
SCHEMBL31222375 0.75 NPY4R (0.68) 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
CN-103665170-A Peptide therapeutic conjugates and uses thereof ANGIOCHEM INC 2014-03-26 — — CN disclosed
CN-102348723-A Peptide therapeutic agent conjugates and uses thereof ANGIOCHEM INC 2012-02-08 — — CN disclosed
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