SCHEMBL9130569

SCHEMBL9130569

O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccccc2C1CN1CC[C@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.56
OPRD1 P41143 7/20 0.55
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 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
SCHEMBL9131226 0.88 OPRD1 (0.71) OPRK1OPRD1HSD11B1
SCHEMBL9127858 0.86 OPRK1 (0.53) OPRK1OPRD1MAPK1
SCHEMBL9127987 0.85 OPRK1 (0.53) OPRK1OPRD1HSD11B1
Hydrochloric Acid SCHEMBL8788611 0.84 OPRD1 (0.76) OPRK1OPRD1
SCHEMBL9129797 0.81 OPRK1 (0.52) OPRK1OPRD1
SCHEMBL9129660 0.81 OPRK1 (0.48) OPRK1
SCHEMBL9128011 0.74 OPRD1 (0.66) OPRK1OPRD1MAPK1
SCHEMBL9127069 0.73 OPRD1 (0.65) OPRK1OPRD1HSD11B1
SCHEMBL8722168 0.73 ALDH1A1 (0.52) OPRK1OPRD1MAPK1
SCHEMBL9373944 0.72 OPRD1 (0.79) OPRK1OPRD1

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
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