SCHEMBL3262032

SCHEMBL3262032

CCN1CCOC(=O)C1CC(=O)Nc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
POLB P06746 1/20 0.81
KMT2A Q03164 3/20 0.73
ALDH1A1 P00352 2/20 0.73
HSP90AA1 P07900 1/20 0.73
THRB P10828 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL3264281 0.91 MAPT (0.83) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3218859 0.89 MAPT (0.81) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3216521 0.87 MAPT (0.78) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3263844 0.87 MAPT (0.82) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3264732 0.86 MAPT (1.00) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3215772 0.82 MAPT (0.80) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL13534780 0.81 MAPT (0.68) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3215666 0.81 MAPT (0.74) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL3219024 0.81 MAPT (0.68) MAPTPOLBKMT2AALDH1A1HSP90AA1
SCHEMBL13534782 0.81 MAPT (0.71) MAPTPOLBKMT2AALDH1A1HSP90AA1

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
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO claimed
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO disclosed