SCHEMBL14401583

SCHEMBL14401583

CC(C)C[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 1/20 0.53
DPP4 P27487 2/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
FAP Q12884 1/20 0.52
F2 P00734 1/20 0.51
PLG P00747 1/20 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
SCHEMBL17085440 0.90 SLC6A2 (0.52) OPRM1OPRD1OPRK1F2PLG
SCHEMBL29944964 0.86 OPRM1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL29351630 0.84 OPRM1 (0.58) OPRM1OPRD1OPRK1DPP4DPP8
SCHEMBL3817152 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1F2
SCHEMBL3812839 0.83 OPRM1 (0.62) OPRM1OPRD1OPRK1
SCHEMBL29710134 0.82 SLC6A2 (0.59) OPRM1OPRD1OPRK1
Acetic Acid SCHEMBL10728075 0.82 F2 (0.56) OPRM1OPRD1OPRK1F2PLG
SCHEMBL30440339 0.82 OPRM1 (0.56) OPRM1OPRD1OPRK1DPP4DPP8
SCHEMBL29641544 0.82 OPRM1 (0.56) OPRM1OPRD1OPRK1DPP4DPP8
SCHEMBL16566062 0.82 DPP8 (0.52) OPRM1OPRD1OPRK1DPP8F2

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-2007120864-A2 COMPOSITIONS AND METHODS FOR ENHANCING ANALGESIC POTENCY OF COVALENTLY BOUND COMPOUNDS, ATTENUATING ITS ADVERSE SIDE EFFECTS, AND PREVENTING THEIR ABUSE SHIRE LLC (US) 2007-10-25 WO disclosed