SCHEMBL7105487

SCHEMBL7105487

CC(NC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1)c1nccs1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.64
OPRD1 P41143 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
NR3C1 P04150 5/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
CTSA P10619 2/20 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
SCHEMBL7106355 0.79 OPRK1 (1.00) OPRK1OPRD1
SCHEMBL7105490 0.77 OPRK1 (0.66) OPRK1OPRD1SMN1; SMN2L3MBTL1ADORA2A
SCHEMBL7101712 0.73 OPRK1 (1.00) OPRK1OPRD1
SCHEMBL7106593 0.70 OPRK1 (0.75) OPRK1OPRD1
SCHEMBL7102313 0.68 OPRK1 (1.00) OPRK1OPRD1SMN1; SMN2
SCHEMBL7106995 0.68 OPRK1 (0.89) OPRK1OPRD1
SCHEMBL13774782 0.67 OPRK1 (0.68) OPRK1OPRD1SMN1; SMN2
SCHEMBL7108645 0.66 OPRK1 (1.00) OPRK1OPRD1
SCHEMBL2896358 0.65 NR3C1 (0.82) NR3C1PGRAR
SCHEMBL12592945 0.65 NR3C1 (0.82) NR3C1PGRAR

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-1055665-B1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1055665-A1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives Pfizer Products Inc. (US) 2000-11-29 EP disclosed