SCHEMBL28506563

SCHEMBL28506563

C[N+](C)(C)CCO[PH](=O)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRM5 P08912 6/20 0.39
CHRM1 P11229 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRM2 P08172 5/20 0.39
CHRM4 P08173 5/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA7 P36544 3/20 0.39
HTR1A P08908 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 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
Alcohol SCHEMBL28514594 0.91 CYP2C19 (0.41) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL20531615 0.79 CHRM5 (0.42) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL28497595 0.77 CHRM5 (0.41) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL28464604 0.75 CHRM5 (0.43) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL27883926 0.75 CHRM5 (0.39) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL3840099 0.75 CHRM5 (0.44) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL3118709 0.75 CHRM5 (0.39) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL23617698 0.73 CHRM5 (0.38) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
SCHEMBL28853982 0.73 CHRM5 (0.38) CYP2C19L3MBTL1CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL28472315 0.73 CHRM5 (0.41) CYP2C19L3MBTL1CHRM5CHRM1CHRM3

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
CN-109666100-B Synthetic method of artificial cell membrane material polyquaternium-51 苏州怡彼得生物技术有限公司 2021-01-26 CN claimed
CN-109666100-B Synthetic method of artificial cell membrane material polyquaternium-51 苏州怡彼得生物技术有限公司 2021-01-26 CN disclosed