SCHEMBL9130335

SCHEMBL9130335

O=C1COc2ccc(CC(=O)N3CCc4ccccc4C3CN3CCCC3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.64
OPRK1 P41145 4/20 0.49
PARP1 P09874 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL9129797 0.89 OPRK1 (0.52) OPRD1OPRK1PARP1DRD2DRD4
SCHEMBL9130785 0.81 PARP1 (0.46) OPRK1PARP1DRD2DRD4DRD3
SCHEMBL9131226 0.80 OPRD1 (0.71) OPRD1OPRK1
SCHEMBL9128011 0.79 OPRD1 (0.66) OPRD1OPRK1
SCHEMBL9699133 0.78 OPRD1 (1.00) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9699115 0.78 OPRD1 (0.98) OPRD1OPRK1DRD4
SCHEMBL10434623 0.77 OPRD1 (0.73) OPRD1OPRK1
SCHEMBL9815296 0.77 OPRD1 (0.76) OPRD1OPRK1PARP1
SCHEMBL10434753 0.77 OPRD1 (0.85) OPRD1OPRK1
Hydrochloric Acid SCHEMBL9815284 0.76 OPRD1 (0.74) OPRD1OPRK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121072-A Acetamides MERCK PATENG GES MIT BESCHRANK (DE) 1996-04-24 CN disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed