SCHEMBL7668849

SCHEMBL7668849

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@](O)(S)C=C[C@H]3[C@H]1C5

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 4/20 0.74
OPRM1 P35372 14/20 0.64
OPRD1 P41143 13/20 0.64
OPRK1 P41145 12/20 0.64
SLC22A1 O15245 1/20 0.64
ADRA2A P08913 1/20 0.64
ARRB1 P49407 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
SCHEMBL28654569 0.90 MRGPRX2 (0.77) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL29583693 0.85 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10527174 0.85 MRGPRX2 (0.82) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL29449917 0.85 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL154048 0.85 MRGPRX2 (1.00) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL28654572 0.85 MRGPRX2 (0.70) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Hydrochloric Acid SCHEMBL27754570 0.84 MRGPRX2 (0.98) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8393673 0.84 MRGPRX2 (0.68) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
SCHEMBL8362208 0.83 MRGPRX2 (0.81) MRGPRX2OPRM1OPRD1OPRK1SLC22A1
Methoxymethane SCHEMBL27466715 0.83 MRGPRX2 (0.94) MRGPRX2OPRM1OPRD1OPRK1SLC22A1

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-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 US disclosed