SCHEMBL18569404

SCHEMBL18569404

CN1CC[C@]23c4c5ccc(O)c4O[C@H]2CC=CC3C1C5

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 1.00
OPRD1 P41143 13/20 1.00
OPRK1 P41145 12/20 1.00
MRGPRX2 Q96LB1 3/20 0.70
SLC22A1 O15245 1/20 0.70
ADRA2A P08913 1/20 0.70
ARRB1 P49407 1/20 0.70

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
SCHEMBL876355 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL22838355 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL8383142 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL14089349 0.88 OPRD1 (0.78) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
SCHEMBL30199760 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL21008992 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL18569385 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL19235930 0.84 OPRM1 (0.73) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL24599520 0.83 OPRD1 (1.00) OPRM1OPRD1OPRK1MRGPRX2SLC22A1
Morphine SCHEMBL13154676 0.83 OPRD1 (1.00) 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
EP-3342427-A1 PEGYLATED OPIOIDS WITH LOW POTENTIAL FOR ABUSE Nektar Therapeutics (US) 2018-07-04 EP disclosed
EP-2628489-B1 PEG oligomer-fentanyl conjugates NEKTAR THERAPEUTICS (US) 2017-03-01 EP disclosed