SCHEMBL8720345

SCHEMBL8720345

COc1ccc([C@](C)(N)CN2CC[C@H](O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CNR2 P34972 2/20 0.39
SLC6A11 P48066 3/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8719953 0.87 ALDH1A1 (0.42) MEN1KMT2A
SCHEMBL8716993 0.85 ALDH1A1 (0.40) OPRK1CYP3A4
SCHEMBL8717616 0.85 ALDH1A1 (0.37) OPRK1
SCHEMBL8717430 0.85 ALDH1A1 (0.37) OPRK1CNR2
SCHEMBL6425483 0.83 KCNA3 (0.44) OPRK1
SCHEMBL8719819 0.82 OPRK1 (0.41) OPRK1MEN1KMT2A
SCHEMBL8719917 0.77 OPRK1 (0.42) OPRK1MEN1KMT2A
SCHEMBL13650590 0.75 ALDH1A1 (0.57) OPRK1MEN1KMT2A
SCHEMBL22488317 0.75 ALDH1A1 (0.57) OPRK1MEN1KMT2A
SCHEMBL22488321 0.75 ALDH1A1 (0.57) OPRK1MEN1KMT2A

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
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed