SCHEMBL5245016

SCHEMBL5245016

C[N+]1(CCCc2ccccc2)CCCC1COC(=O)[C@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 5/20 0.48
CHRM3 P20309 5/20 0.48
CHRM1 P11229 4/20 0.48
KCNH2 Q12809 4/20 0.48
SLC6A3 Q01959 2/20 0.48
HTT P42858 1/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
HTR2B P41595 2/20 0.48
HRH1 P35367 2/20 0.48
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL1086386 1.00 POLB (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1086380 1.00 POLB (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1086383 1.00 POLB (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1088166 0.99 ALDH1A1 (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL5250611 0.99 ALDH1A1 (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1088165 0.99 ALDH1A1 (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1088168 0.99 ALDH1A1 (0.50) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1086651 0.95 POLB (0.51) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL1086654 0.95 POLB (0.51) POLBALDH1A1CHRM2CHRM3CHRM1
SCHEMBL5252511 0.95 POLB (0.51) POLBALDH1A1CHRM2CHRM3CHRM1

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
EP-1831208-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS Novartis AG (CH) 2007-09-12 EP claimed
WO-2006066929-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2006-06-29 WO claimed
EP-1831208-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS Novartis AG (CH) 2007-09-12 EP disclosed
WO-2006066929-A1 QUATERNARY AMMONIUM SALTS AS M3 ANTAGONISTS NOVARTIS AG (CH) 2006-06-29 WO disclosed