SCHEMBL1380359

SCHEMBL1380359

O=C(c1ccc2cc(OCCCC3CCCNC3)ccc2n1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
SCN9A Q15858 12/20 0.49
ACP1 P24666 2/20 0.48
SCN7A Q01118 6/20 0.47
KCNH2 Q12809 6/20 0.47
SCN10A Q9Y5Y9 3/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
PDE2A O00408 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL1381216 0.93 HRH3 (0.61) HRH3SCN9AACP1SCN7AKCNH2
SCHEMBL1377869 0.93 HRH3 (0.61) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL1380830 0.90 HRH3 (0.67) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL1378414 0.89 SCN9A (0.53) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL5178917 0.89 HRH3 (0.51) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL1381575 0.88 HRH3 (0.56) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL1378505 0.88 HRH3 (0.51) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL1378338 0.86 HRH3 (0.49) HRH3SCN9ASCN7AKCNH2SCN10A
SCHEMBL2208858 0.84 HRH3 (0.44) HRH3SCN9AACP1SCN7AKCNH2
SCHEMBL1380750 0.84 HRH3 (0.50) HRH3SCN9ASCN7AKCNH2SCN10A

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
JP-4660553-B2 2011-03-30 JP claimed
JP-2008517003-A 2008-05-22 JP claimed
EP-1805166-A1 QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-11 EP claimed
WO-2006045416-A1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO claimed