SCHEMBL4429328

SCHEMBL4429328

CC[N+](CC)(CC)[C@](O)(CCc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.50
CHRM1 P11229 5/20 0.50
KCNH2 Q12809 4/20 0.50
CYP2D6 P10635 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.42
SLC6A3 Q01959 1/20 0.40
SLC18A3 Q16572 1/20 0.40
CHRM3 P20309 5/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
HRH1 P35367 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL26326653 0.76 CYP2D6 (0.46) CHRM2CHRM1KCNH2CYP2D6L3MBTL1
SCHEMBL27997622 0.76 CHRM3 (0.47) CHRM2CHRM1KCNH2CYP2D6SLC18A3
SCHEMBL933428 0.76 CHRM3 (0.45) CHRM2CHRM1KCNH2CYP2D6L3MBTL1
SCHEMBL2791594 0.74 L3MBTL1 (0.48) CHRM2CHRM1KCNH2CYP2D6L3MBTL1
SCHEMBL4278250 0.68 L3MBTL1 (0.45) L3MBTL1CHRM3NPC1RAB9ATSHR
SCHEMBL4288037 0.67 L3MBTL1 (0.44) L3MBTL1NPC1RAB9ATSHRTAAR1
SCHEMBL26986096 0.67 SLC18A3 (0.38) CHRM2CHRM1KCNH2CYP2D6L3MBTL1
Tridihexethyl SCHEMBL94230 0.67 CHRM2 (1.00) CHRM2CHRM1KCNH2CYP2D6SLC6A3
Tridihexethyl SCHEMBL2296006 0.67 CHRM2 (1.00) CHRM2CHRM1KCNH2CYP2D6SLC6A3
SCHEMBL25971519 0.66 SLC6A2 (0.44) CHRM2CHRM1KCNH2CYP2D6SLC18A3

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-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