SCHEMBL8409352

SCHEMBL8409352

COc1ccc2c3c1O[C@H]1[C@H](OC4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 1.00
OPRM1 P35372 5/20 0.83
OPRD1 P41143 3/20 0.69
OPRK1 P41145 3/20 0.69
ADRB1 P08588 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64

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
SCHEMBL1261490 1.00 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1ADRB1
SCHEMBL6753388 1.00 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1ADRB1
SCHEMBL3017103 0.94 MRGPRX2 (0.89) MRGPRX2OPRM1OPRD1OPRK1
SCHEMBL2171816 0.94 MRGPRX2 (0.89) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL6754812 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL13268600 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL152647 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL1743681 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL13245908 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1
Morphine Glucuronide SCHEMBL13267437 0.91 OPRM1 (1.00) MRGPRX2OPRM1OPRD1OPRK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267985-A1 MUTANT LACTOBACILLUS BETA-GLUCURONIDASE ENZYMES WITH ENHANCED ENZYMATIC ACTIVITY INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2017-09-21 US claimed
US-20160237415-A1 MUTANT STAPHYLOCOCCUS BETA-GLUCURONIDASE ENZYMES WITH ENHANCED ENZYMATIC ACTIVITY INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2016-08-18 US claimed
US-9920306-B2 Mutant β-glucuronidase enzymes with enhanced enzymatic activity INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, LLC (US) 2018-03-20 US disclosed
US-9909111-B2 Mutant lactobacillus beta-glucuronidase enzymes with enhanced enzymatic activity INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS (US) 2018-03-06 US disclosed
US-20170267985-A1 MUTANT LACTOBACILLUS BETA-GLUCURONIDASE ENZYMES WITH ENHANCED ENZYMATIC ACTIVITY INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2017-09-21 US disclosed
US-9719075-B2 Mutant Staphylococcus beta-glucuronidase enzymes with enhanced enzymatic activity INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS (US) 2017-08-01 US disclosed
US-20160237415-A1 MUTANT STAPHYLOCOCCUS BETA-GLUCURONIDASE ENZYMES WITH ENHANCED ENZYMATIC ACTIVITY INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2016-08-18 US disclosed
US-20160090582-A1 MUTANT BETA-GLUCURONIDASE ENZYMES WITH ENHANCED ENZYMATIC ACTIVITY INTEGRATED MICRO-CHROMATOGRAPHY SYSTEMS, INC. 2016-03-31 US disclosed
US-5908927-A Synthesis of deuterated opiate glucuronides HIGH STANDARD PRODUCTS CORPORATION (US) 1999-06-01 US disclosed
US-5908927-A Synthesis of deuterated opiate glucuronides HIGH STANDARD PRODUCTS CORPORATION (US) 1999-06-01 US disclosed