SCHEMBL8412616

SCHEMBL8412616

[2H]C([2H])([2H])C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.75
OPRM1 P35372 6/20 0.75
OPRK1 P41145 4/20 0.75
MRGPRX2 Q96LB1 4/20 0.75
ADRB1 P08588 1/20 0.75
PDE4D Q08499 1/20 0.75
PDE3A Q14432 1/20 0.75
SLC22A1 O15245 1/20 0.67
ADRA2A P08913 1/20 0.67
ARRB1 P49407 1/20 0.67

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
SCHEMBL16922134 0.94 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8374709 0.94 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL14516215 0.94 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL149701 0.94 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL27503745 0.93 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Water SCHEMBL2443250 0.93 OPRM1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082104 0.91 OPRM1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL6755526 0.88 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL31424675 0.88 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082099 0.88 OPRM1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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-5908927-A Synthesis of deuterated opiate glucuronides HIGH STANDARD PRODUCTS CORPORATION (US) 1999-06-01 US disclosed