SCHEMBL4718923

SCHEMBL4718923

[CH2]N1CCCC1CN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
HRH3 Q9Y5N1 9/20 0.41
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
OPRK1 P41145 1/20 0.33

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
SCHEMBL4714512 0.98 CHRM5 (0.43) CHRM5ADRA2CHRH3CYP1A2KCNH2
SCHEMBL3078766 0.82 GAA (0.36) HRH3CYP1A2SIGMAR1
SCHEMBL4715901 0.82 RAD52 (0.36) CHRM5ADRA2CHRH3SIGMAR1
SCHEMBL4716639 0.82 GAA (0.36) HRH3CYP1A2SIGMAR1
SCHEMBL9245345 0.74 CYP1A2 (0.62) CHRM5ADRA2CHRH3CYP1A2
SCHEMBL9927921 0.74 CYP1A2 (0.62) CHRM5ADRA2CHRH3CYP1A2
SCHEMBL6079950 0.74 CYP1A2 (0.62) CHRM5ADRA2CHRH3CYP1A2
SCHEMBL12568585 0.74 CYP1A2 (0.62) CHRM5ADRA2CHRH3CYP1A2
SCHEMBL4718925 0.74 CYP1A2 (0.62) CHRM5ADRA2CHRH3CYP1A2
SCHEMBL2760246 0.71 CYP1A2 (0.59) CHRM5ADRA2CCYP1A2

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-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US claimed