SCHEMBL6008090

SCHEMBL6008090

OCC[C@@H]1CNCCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GAA P10253 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3948948 1.00 SIGMAR1 (0.54) SIGMAR1POLBALDH1A1LMNASLC6A2
SCHEMBL23496876 1.00 SIGMAR1 (0.54) SIGMAR1POLBALDH1A1LMNASLC6A2
SCHEMBL1738860 0.88 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL8101234 0.88 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL2080509 0.88 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL22640155 0.86 ALDH1A1 (0.52) SIGMAR1POLBALDH1A1GAAMEN1
SCHEMBL22640117 0.86 ALDH1A1 (0.52) SIGMAR1POLBALDH1A1GAAMEN1
SCHEMBL6323998 0.84 SLC6A2 (0.50) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1415727 0.83 SLC6A2 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3CA1
SCHEMBL6936570 0.83 SLC6A2 (0.63) SIGMAR1SLC6A2SLC6A4SLC6A3CA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006051410-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 WO disclosed