SCHEMBL8716975

SCHEMBL8716975

CC(C(=O)N1CCc2ccccc2C1CN1CCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.59
▸ OPRK1 P41145 1/20 0.50
▸ MTNR1B P49286 1/20 0.46
▸ KEAP1 Q14145 9/20 0.45
▸ NFE2L2 Q16236 4/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8720241 0.91 OPRD1 (0.60) OPRD1OPRK1MTNR1BKEAP1NFE2L2
SCHEMBL8717575 0.86 OPRD1 (0.45) OPRD1OPRK1MTNR1BKEAP1NFE2L2
SCHEMBL8717029 0.77 OPRD1 (0.55) OPRD1OPRK1MTNR1BKEAP1NFE2L2
SCHEMBL8717350 0.75 OPRK1 (0.60) OPRD1OPRK1KEAP1NFE2L2ATM
SCHEMBL8717410 0.75 HRH3 (0.56) OPRD1
SCHEMBL8719963 0.73 OPRK1 (0.55) OPRD1OPRK1KEAP1NFE2L2ATM
SCHEMBL27401731 0.73 OPRK1 (0.55) OPRD1OPRK1KEAP1NFE2L2ATM
SCHEMBL10434728 0.72 OPRD1 (0.63) OPRD1OPRK1MTNR1BKEAP1NPSR1
SCHEMBL13110444 0.72 OPRK1 (0.80) OPRD1OPRK1KEAP1NFE2L2ATM
SCHEMBL9815296 0.72 OPRD1 (0.76) OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 — — EP claimed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 — — EP claimed
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 — — EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 — — US disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 — — EP disclosed
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