SCHEMBL3472575

SCHEMBL3472575

O=C1Nc2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)C3)cc2C12OCCCO2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRK1 P41145 2/20 0.51
ALOX5AP P20292 15/20 0.50
FEN1 P39748 15/20 0.50
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3468579 0.85 GAA (0.48) OPRM1OPRK1ALOX5APFEN1GAA
SCHEMBL3471618 0.81 ALOX5AP (0.49) OPRM1OPRK1ALOX5APFEN1GAA
SCHEMBL3467433 0.75 KMT2A (0.49) GAAMAPK1KMT2AMEN1POLB
SCHEMBL3472577 0.72 OPRM1 (0.38) OPRM1OPRK1GAAMAPK1KMT2A
SCHEMBL3469163 0.69 CASP3 (0.55) GAAMAPK1KMT2AMEN1POLB
SCHEMBL13273663 0.68 GAA (0.59) GAAMAPK1KMT2AMEN1POLB
SCHEMBL15916516 0.67 ALOX5AP (1.00) OPRM1OPRK1ALOX5APFEN1
SCHEMBL15916760 0.67 ALOX5AP (1.00) ALOX5APFEN1
SCHEMBL9098061 0.66 KMT2A (0.61) GAAMAPK1KMT2AMEN1POLB
SCHEMBL2780829 0.65 GAA (0.59) GAAMAPK1KMT2AMEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed