SCHEMBL7101712

SCHEMBL7101712

CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 1.00
OPRD1 P41143 5/20 0.87
POLB P06746 1/20 0.54
MMP8 P22894 1/20 0.47
CNR1 P21554 1/20 0.47
EPHX2 P34913 4/20 0.46
KDM4A O75164 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.93 OPRK1 (1.00) OPRK1OPRD1POLBMMP8CYP2C9
SCHEMBL7102313 0.86 OPRK1 (1.00) OPRK1OPRD1MMP8KMT2A
SCHEMBL7101012 0.77 OPRK1 (1.00) OPRK1OPRD1POLB
SCHEMBL7106526 0.75 OPRK1 (1.00) OPRK1OPRD1KMT2A
SCHEMBL7108642 0.74 OPRK1 (1.00) OPRK1OPRD1EPHX2KMT2A
SCHEMBL7105487 0.73 OPRK1 (0.64) OPRK1OPRD1
SCHEMBL7106995 0.72 OPRK1 (0.89) OPRK1OPRD1POLBMMP8
SCHEMBL7106593 0.72 OPRK1 (0.75) OPRK1OPRD1POLBMMP8CYP2C9
SCHEMBL12356333 0.72 POLB (1.00) OPRK1POLBMMP8CNR1EPHX2
SCHEMBL7108645 0.70 OPRK1 (1.00) OPRK1OPRD1POLBMMP8

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