SCHEMBL6339263

SCHEMBL6339263

CCCCNC(N)=NCCCCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.61
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48

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
Hydrochloric Acid SCHEMBL6341165 0.82 SIGMAR1 (0.56) SIGMAR1FPR3FPR2
SCHEMBL5467668 0.81 GRIN2D (0.85) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6925661 0.81 GRIN2D (0.85) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6923829 0.81 GRIN2D (0.85) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7761906 0.80 GRIN2D (0.81) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7760009 0.80 GRIN2D (0.81) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL5461681 0.80 GRIN2D (0.81) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6338933 0.79 SIGMAR1 (0.49) SIGMAR1FPR3FPR2
SCHEMBL6015497 0.78 GRIN2D (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1273740 0.78 GRIN2D (0.78) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878736-B1 Histamine H3 receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
EP-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed