SCHEMBL4433368

SCHEMBL4433368

COC(=O)C1(NI)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2906878 0.89
Hydrochloric Acid SCHEMBL2457476 0.86 NPSR1 (0.39) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL5526779 0.80 MAPT (0.51) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
Hydrochloric Acid SCHEMBL4435716 0.79 SMN1; SMN2 (0.36) MAPTALDH1A1NPSR1CYP3A4MEN1
SCHEMBL14393120 0.78 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
Hydrochloric Acid SCHEMBL5526775 0.78 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL4825839 0.77 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
Hydrochloric Acid SCHEMBL25233263 0.77 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL12870428 0.77 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL27831272 0.77 MAPT (0.57) MAPTALDH1A1L3MBTL1NPSR1CYP4F2

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-2121624-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092878-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed