SCHEMBL28098386

SCHEMBL28098386

CN(C)CCCOC(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35
DNM1 Q05193 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL25595752 0.89 CHRNB2 (0.50) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL28284116 0.82 CHRM2 (0.37) CHRM2ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL27645900 0.81 CYP2C9 (0.37) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL17670555 0.79 EPHX1 (0.40) EPHX1ACHE
SCHEMBL11100479 0.79 EPHX1 (0.52) ALDH1A1TSHRATMSMN1; SMN2EPHX1
SCHEMBL17393935 0.79 ACHE (0.44) EPHX1ACHE
SCHEMBL15211959 0.79 EPHX1 (0.57) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL29148821 0.77 EPHX1 (0.37) EPHX1ACHE
SCHEMBL21059108 0.77 EPHX1 (0.60) EPHX1ACHE
SCHEMBL12057397 0.77 EPHX1 (0.37) GAAEPHX1ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed