SCHEMBL9003446

SCHEMBL9003446

CCO[PH](=O)c1ccccc1CCBr

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL779740 0.84 MAPT (0.39) CYP4F2CYP4A11MAPTNPSR1L3MBTL1
SCHEMBL7916460 0.77 HTR2A (0.41) L3MBTL1
SCHEMBL11312254 0.77 GABRA1 (0.36) MAPTL3MBTL1GABRA1GABRB2
SCHEMBL777147 0.73 TSHR (0.35) TDP1MAPTL3MBTL1
SCHEMBL13905535 0.72 ALDH1A1 (0.42) TDP1L3MBTL1
SCHEMBL28541537 0.71 ALDH1A1 (0.36) MAPTNPSR1L3MBTL1GABRA1GABRB2
SCHEMBL18317180 0.71 MAPT (0.30) MAPTNPSR1L3MBTL1
SCHEMBL28552223 0.70 L3MBTL1 (0.37) TDP1MAPTNPSR1L3MBTL1GABRA1
SCHEMBL9003442 0.70 ELANE (0.31)
SCHEMBL10452384 0.70 LIPG (0.45)

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-0733036-A1 ALPHA-QUATERNARY-ALPHA-AMINO ACIDS FOR USE AS CNS AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015940-A1 ALPHA-QUATERNARY-ALPHA-AMINO ACIDS FOR USE AS CNS AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO disclosed