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SCHEMBL29568486

SCHEMBL29568486

CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.57
▸ OPRD1 P41143 7/20 0.57
▸ OPRK1 P41145 6/20 0.54
▸ NPY4R P50391 4/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ NPY2R P49146 3/20 0.53
▸ NPY5R Q15761 2/20 0.51
▸ NPBWR1 P48145 1/20 0.49
▸ CTSB P07858 1/20 0.49

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
SCHEMBL29568724 0.94 OPRK1 (0.59) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL29568958 0.92 QRFPR (0.52) OPRM1OPRD1OPRK1CTSB
SCHEMBL29568516 0.92 OPRK1 (0.62) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL31236826 0.92 OPRK1 (0.62) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL6131647 0.92 OPRK1 (0.60) OPRM1OPRK1NPY4RNPY1RNPY2R
SCHEMBL6131648 0.92 OPRK1 (0.60) OPRM1OPRK1NPY4RNPY1RNPY2R
SCHEMBL29569118 0.92 OPRK1 (0.54) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL3649800 0.89 NPY4R (0.67) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL3649802 0.89 NPY4R (0.67) OPRM1OPRD1OPRK1NPY4RNPY1R
SCHEMBL29569557 0.89 OPRK1 (0.56) OPRM1OPRD1OPRK1CTSB

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
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP claimed
EP-3320923-B1 FLUORESCENT IMAGING AGENTS VISEN MEDICAL INC (US) 2022-04-06 — — EP disclosed