SCHEMBL3259886

SCHEMBL3259886

CCN1CCOC(=O)C1CC(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.63
POLB P06746 2/20 0.63
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.53
HSP90AA1 P07900 1/20 0.53
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2013412 0.83 NPC1 (0.46) MAPTPOLBALDH1A1KMT2ALMNA
SCHEMBL3220798 0.79 MAPT (0.57) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3262032 0.74 MAPT (1.00) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3216521 0.73 MAPT (0.78) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3218859 0.73 MAPT (0.81) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2017246 0.72 MAPT (0.43) MAPTPOLBKMT2ATHRBRAB9A
SCHEMBL13534756 0.72 MAPT (0.60) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3216164 0.72 MAPT (0.59) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL3226076 0.72 MAPT (0.58) MAPTPOLBALDH1A1KMT2AHSP90AA1
SCHEMBL2013353 0.71 CACNA1G (0.45) MAPTPOLBALDH1A1KMT2ALMNA

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 3 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
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO disclosed