SCHEMBL7769409

SCHEMBL7769409

COCNC(=O)Oc1cccc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 8/20 0.43
GAA P10253 6/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
GRM5 P41594 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9326030 0.80 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL3655006 0.78 ALDH1A1 (0.35) L3MBTL1ALDH1A1GAAHPGD
SCHEMBL306065 0.78 CTSA (0.45) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL21801447 0.76 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL7767858 0.76 PTK2 (0.40) L3MBTL1MAPTKMT2AMEN1
SCHEMBL27756885 0.76 F2 (0.45) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL1732930 0.74 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL12806428 0.74 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAAMAPTHPGD
SCHEMBL11586322 0.74 FAAH (0.56) ALDH1A1
SCHEMBL9326634 0.73 JAK2 (0.46) L3MBTL1ALDH1A1MAPTHPGDF2

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-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed