SCHEMBL3262164

SCHEMBL3262164

CCCN1CCOC(=O)C1CC(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.67
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.60
HSP90AA1 P07900 1/20 0.60
KMT2A Q03164 1/20 0.60
THRB P10828 2/20 0.58
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 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 0.80 MAPT (0.83) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3262032 0.80 MAPT (1.00) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3218859 0.79 MAPT (0.81) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3226493 0.79 MAPT (0.69) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3215772 0.79 MAPT (0.80) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3211542 0.78 MAPT (0.74) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3215666 0.78 MAPT (0.74) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3219024 0.78 MAPT (0.68) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3263844 0.77 MAPT (0.82) MAPTPOLBALDH1A1HSP90AA1KMT2A
SCHEMBL3216521 0.77 MAPT (0.78) MAPTPOLBALDH1A1HSP90AA1KMT2A

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