SCHEMBL7872640

SCHEMBL7872640

CC(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.56
▸ OPRM1 P35372 6/20 0.56
▸ OPRK1 P41145 2/20 0.56
▸ MMP2 P08253 1/20 0.52
▸ CCKAR P32238 3/20 0.51
▸ CCKBR P32239 3/20 0.51

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
SCHEMBL7872647 1.00 OPRD1 (0.56) OPRD1OPRM1OPRK1MMP2CCKAR
SCHEMBL7113442 0.92 NPY4R (0.51) OPRD1OPRM1OPRK1
SCHEMBL7113436 0.92 NPY4R (0.51) OPRD1OPRM1OPRK1
SCHEMBL29590137 0.91 MMP2 (0.58) OPRK1MMP2
SCHEMBL29531641 0.91 MMP2 (0.58) OPRK1MMP2
SCHEMBL7592267 0.89 OPRD1 (0.49) OPRD1OPRM1OPRK1MMP2
SCHEMBL7592268 0.89 OPRD1 (0.49) OPRD1OPRM1OPRK1MMP2
SCHEMBL1374173 0.88 OPRD1 (0.59) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL30977978 0.88 OPRK1 (0.55) OPRK1MMP2
SCHEMBL1371635 0.88 MMP2 (0.55) OPRD1OPRM1OPRK1MMP2

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
US-6303116-B1 CAPABLE OF TRANSDUCING THERAPEUTIC GENES INTO NON-DIVIDING CELLS. THOMAS JEFFERSON UNIVERSITY 2001-10-16 — — US disclosed
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