SCHEMBL9130848

SCHEMBL9130848

O=C(Cc1ccc2oc(=O)[nH]c2c1)N1Cc2ccccc2CC1CN1CC[C@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 19/20 0.45
KCNH2 Q12809 1/20 0.37
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL9129888 0.89 OPRK1 (0.46) OPRK1KCNH2
SCHEMBL9129660 0.86 OPRK1 (0.48) OPRK1
SCHEMBL9129777 0.82 OPRK1 (0.45) OPRK1
SCHEMBL9127858 0.82 OPRK1 (0.53) OPRK1
SCHEMBL9128047 0.80 PARP1 (0.47) OPRK1
SCHEMBL9130908 0.74 OPRK1 (0.48) OPRK1KCNH2
SCHEMBL16413116 0.72 OPRK1 (0.43) OPRK1KCNH2MCHR2MCHR1
SCHEMBL16413111 0.72 OPRK1 (0.43) OPRK1KCNH2MCHR2MCHR1
SCHEMBL20554842 0.72 OPRK1 (0.43) OPRK1KCNH2MCHR2MCHR1
SCHEMBL9128883 0.71 OPRK1 (0.60) OPRK1

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
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP claimed
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