SCHEMBL7102313

SCHEMBL7102313

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 1.00
OPRD1 P41143 5/20 0.79
RIPK1 Q13546 1/20 0.47
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
SLC16A3 O15427 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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 0.88 OPRK1 (1.00) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL7101712 0.86 OPRK1 (1.00) OPRK1OPRD1MMP8KMT2A
SCHEMBL7106526 0.85 OPRK1 (1.00) OPRK1OPRD1MEN1LMNAKMT2A
SCHEMBL7106987 0.85 OPRK1 (0.73) OPRK1OPRD1
SCHEMBL7101012 0.81 OPRK1 (1.00) OPRK1OPRD1LMNA
SCHEMBL7108642 0.78 OPRK1 (1.00) OPRK1OPRD1MEN1KMT2A
SCHEMBL5544358 0.72 OPRK1 (0.66) OPRK1RIPK1MMP8SMN1; SMN2MEN1
SCHEMBL3505448 0.71 OPRK1 (0.54) OPRK1RIPK1SMN1; SMN2LMNAKMT2A
SCHEMBL7106098 0.69 OPRK1 (0.53) OPRK1OPRD1MMP1MMP2MMP9
SCHEMBL1516186 0.69 RIPK1 (0.71) OPRK1RIPK1MMP8SMN1; SMN2MEN1

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