SCHEMBL8719917

SCHEMBL8719917

COc1ccccc1[C@](C)(N)CN1CC[C@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.42
OPRM1 P35372 4/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
OPRD1 P41143 2/20 0.38
DRD2 P14416 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
PDCD1LG2 Q9BQ51 3/20 0.36
CD274 Q9NZQ7 3/20 0.36

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
SCHEMBL8719819 0.84 OPRK1 (0.41) OPRK1OPRM1MAPTKDM4EMEN1
SCHEMBL6425483 0.79 KCNA3 (0.44) OPRK1OPRM1KDM4EOPRD1LTA4H
SCHEMBL8720345 0.77 OPRK1 (0.42) OPRK1MEN1KMT2A
SCHEMBL8720379 0.75 ALDH1A1 (0.39) OPRK1KDM4EOPRD1
SCHEMBL8716993 0.72 ALDH1A1 (0.40) OPRK1KDM4E
SCHEMBL8717430 0.72 ALDH1A1 (0.37) OPRK1KDM4EPDCD1LG2CD274
SCHEMBL8717616 0.72 ALDH1A1 (0.37) OPRK1OPRM1KDM4EOPRD1LTA4H
SCHEMBL8719953 0.70 ALDH1A1 (0.42) MAPTMEN1KMT2ALTA4H
SCHEMBL8809772 0.70 OPRK1 (0.41) OPRK1OPRM1KDM4EOPRD1MEN1
SCHEMBL16487251 0.68 CA1 (0.44) MAPTMEN1KMT2A

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