SCHEMBL31114014

SCHEMBL31114014

OCC1(c2ccccn2)CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4115582 0.88 GRIN1 (0.42) OPRM1DRD2DRD3
SCHEMBL24608764 0.84 GRIN1 (0.44) OPRM1DRD2DRD3
SCHEMBL15863115 0.84 GRIN1 (0.47) OPRM1
SCHEMBL11920692 0.83 OPRM1 (0.40) OPRM1DRD2DRD3
SCHEMBL31114112 0.80 OPRM1 (0.46) OPRM1DRD2DRD3CYP2D6
SCHEMBL29967521 0.79 OPRM1 (0.65) OPRM1DRD2DRD3
SCHEMBL26638893 0.79 OPRM1 (0.65) OPRM1DRD2DRD3
SCHEMBL3973883 0.79 HSD11B1 (0.37) OPRM1
SCHEMBL28869098 0.78 OPRM1 (0.52) OPRM1DRD2DRD3
SCHEMBL536557 0.77 OPRM1 (0.53) OPRM1DRD2DRD3

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
WO-2024186915-A1 DUAL-TARGET MU OPIOID AND DOPAMINE D3 RECEPTORS LIGANDS PREPARATION AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-09-12 WO disclosed