SCHEMBL13151540

SCHEMBL13151540

Cc1ccc(O)c2c1[C@]13CCN(C)[C@H](C)[C@@H]1C=C[C@H](O)[C@@H]3O2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.66
OPRD1 P41143 5/20 0.66
OPRK1 P41145 5/20 0.66
MRGPRX2 Q96LB1 2/20 0.66
SLC22A1 O15245 1/20 0.66
ADRA2A P08913 1/20 0.66
ARRB1 P49407 1/20 0.66
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL12283963 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL18867761 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL19880922 1.00 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL13668804 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14501898 0.86 OPRD1 (0.49) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14463456 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL18867882 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL13656808 0.86 OPRM1 (0.67) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14501897 0.84 OPRM1 (0.55) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL22536510 0.83 OPRD1 (0.61) OPRM1OPRD1OPRK1MRGPRX2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
WO-2010121369-A1 PROCESSES FOR THE PREPARATION OF MORPHINANE AND MORPHINONE COMPOUNDS BROCK UNIVERSITY (CA) 2010-10-28 WO disclosed