SCHEMBL7106526

SCHEMBL7106526

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 1.00
OPRD1 P41143 4/20 1.00
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
ANPEP P15144 1/20 0.40
HPGD P15428 1/20 0.39
MTNR1A P48039 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
SCHEMBL7102313 0.85 OPRK1 (1.00) OPRK1OPRD1KMT2AMEN1LMNA
SCHEMBL7106355 0.76 OPRK1 (1.00) OPRK1OPRD1MAPTLMNA
SCHEMBL7101012 0.76 OPRK1 (1.00) OPRK1OPRD1LMNA
SCHEMBL7101712 0.75 OPRK1 (1.00) OPRK1OPRD1KMT2A
SCHEMBL1709278 0.74 MEN1 (0.57) OPRK1OPRD1KMT2AMEN1MAPT
SCHEMBL7108642 0.73 OPRK1 (1.00) OPRK1OPRD1KMT2AMEN1
SCHEMBL14108276 0.72 OPRD1 (0.55) OPRK1OPRD1KMT2AMEN1MAPT
SCHEMBL7106987 0.71 OPRK1 (0.73) OPRK1OPRD1MTNR1A
SCHEMBL14153985 0.71 RIPK1 (0.65) OPRK1OPRD1KMT2AMEN1MAPT
SCHEMBL6380046 0.69 MEN1 (0.57) OPRK1OPRD1KMT2AMEN1MAPT

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