SCHEMBL7108642

SCHEMBL7108642

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 1.00
OPRD1 P41143 5/20 1.00
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
EPHX1 P07099 2/20 0.40
EPHX2 P34913 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL7101012 0.94 OPRK1 (1.00) OPRK1OPRD1ITGB3ITGA2B
SCHEMBL7107673 0.87 OPRK1 (0.77) OPRK1OPRD1
SCHEMBL7106587 0.81 OPRK1 (0.76) OPRK1OPRD1MEN1KMT2A
SCHEMBL7102313 0.78 OPRK1 (1.00) OPRK1OPRD1MEN1KMT2A
SCHEMBL7106355 0.76 OPRK1 (1.00) OPRK1OPRD1NPC1
SCHEMBL7101712 0.74 OPRK1 (1.00) OPRK1OPRD1KMT2AEPHX2
SCHEMBL7106526 0.73 OPRK1 (1.00) OPRK1OPRD1MEN1KMT2A
SCHEMBL22972218 0.70 MEN1 (0.74) OPRK1OPRD1MEN1KMT2ANPC1
SCHEMBL1709299 0.68 EPHX1 (0.57) OPRK1OPRD1KMT2ANPC1HDAC6
SCHEMBL19652077 0.68 EPHX1 (0.57) OPRK1OPRD1KMT2ANPC1HDAC6

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