SCHEMBL14463456

SCHEMBL14463456

COc1ccc(C)c2c1O[C@H]1[C@@H](O)C=CC3C(C)N(C)CC[C@@]231

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.67
OPRD1 P41143 7/20 0.67
OPRK1 P41145 6/20 0.67
MRGPRX2 Q96LB1 5/20 0.67
ADRB1 P08588 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67
SLC18A3 Q16572 1/20 0.54
MAPT P10636 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.51
SLC22A1 O15245 1/20 0.49
ADRA2A P08913 1/20 0.49
ARRB1 P49407 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
SCHEMBL13668804 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL13656808 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL18867882 1.00 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL14154485 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL13151540 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL19880922 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL18867761 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL12283963 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14501896 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL22971571 0.83 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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
EP-1810973-A1 6-monoacetylmorphine derivatives useful in immunoassay Roche Diagnostics GmbH (DE) 2007-07-25 EP disclosed