SCHEMBL2999990

SCHEMBL2999990

CC[N+](CC)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.81
CHRM1 P11229 4/20 0.81
KCNH2 Q12809 4/20 0.81
SLC6A3 Q01959 2/20 0.81
POLB P06746 1/20 0.66
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 1/20 0.59
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL24760395 0.91 CHRM2 (0.68) CHRM2CHRM1KCNH2SLC6A3POLB
Oxyphenonium SCHEMBL250614 0.89 CHRM2 (1.00) CHRM2CHRM1KCNH2SLC6A3POLB
Oxyphenonium SCHEMBL250615 0.89 CHRM2 (1.00) CHRM2CHRM1KCNH2SLC6A3POLB
Oxyphenonium SCHEMBL2030870 0.88 CHRM2 (0.98) CHRM2CHRM1KCNH2SLC6A3POLB
Oxyphenonium SCHEMBL248890 0.88 CHRM2 (0.98) CHRM2CHRM1KCNH2SLC6A3POLB
Hydrochloric Acid SCHEMBL29894890 0.88 CHRM2 (0.81) CHRM2CHRM1KCNH2SLC6A3POLB
SCHEMBL13266147 0.86 POLB (0.76) CHRM2CHRM1KCNH2SLC6A3POLB
SCHEMBL290176 0.83 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3POLB
SCHEMBL13574067 0.83 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3POLB
SCHEMBL13574070 0.83 CHRM2 (0.70) CHRM2CHRM1KCNH2SLC6A3POLB

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
US-20100130544-A1 USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHODS AND COMPOSITIONS UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2010-05-27 US disclosed
EP-2026807-A1 USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHOD AND COMPOSITIONS Universita' Degli Studi di Torino (IT) 2009-02-25 EP disclosed
WO-2007135574-A1 USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHOD AND COMPOSITIONS UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2007-11-29 WO disclosed