SCHEMBL5224259

SCHEMBL5224259

NCCc1cccc(-n2cccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
MPO P05164 1/20 0.49
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
GLS O94925 2/20 0.46
DRD2 P14416 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
TAAR1 Q96RJ0 6/20 0.43
DRD1 P21728 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL15602026 0.87 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL1793682 0.87 LMNA (0.78) LMNAMPOHCRTR1HCRTR2GLS
Hydrochloric Acid SCHEMBL5656437 0.85 LMNA (0.76) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL321235 0.84 LMNA (0.55) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL17629558 0.80 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL27778663 0.80 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL4117917 0.80 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL28079351 0.80 LMNA (0.61) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL327273 0.80 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS
SCHEMBL5017674 0.79 LMNA (0.57) LMNAMPOHCRTR1HCRTR2GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed