SCHEMBL7105490

SCHEMBL7105490

CN(Cc1nccs1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.66
OPRD1 P41143 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 6/20 0.39
PGR P06401 2/20 0.39
AR P10275 2/20 0.39
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 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
SCHEMBL7106593 0.81 OPRK1 (0.75) OPRK1OPRD1NPC1OPRM1OPRL1
SCHEMBL7106995 0.81 OPRK1 (0.89) OPRK1OPRD1OPRM1OPRL1MMP1
SCHEMBL7108645 0.79 OPRK1 (1.00) OPRK1OPRD1OPRM1OPRL1MMP1
SCHEMBL7105487 0.77 OPRK1 (0.64) OPRK1OPRD1SMN1; SMN2L3MBTL1NR3C1
SCHEMBL7106355 0.73 OPRK1 (1.00) OPRK1OPRD1NPC1OPRM1MMP1
SCHEMBL7101712 0.67 OPRK1 (1.00) OPRK1OPRD1KMT2A
SCHEMBL12592945 0.65 NR3C1 (0.82) NR3C1PGRAR
SCHEMBL12592946 0.65 NR3C1 (0.82) NR3C1PGRAR
SCHEMBL2896358 0.65 NR3C1 (0.82) NR3C1PGRAR
SCHEMBL13774782 0.64 OPRK1 (0.68) OPRK1OPRD1SMN1; SMN2MEN1NPC1

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