SCHEMBL21722467

SCHEMBL21722467

CC(CC(=O)N(C)C)OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA3 P32297 1/20 0.37
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16584845 0.82 LMNA (0.44) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28412788 0.82 LMNA (0.44) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14615689 0.78 LMNA (0.56) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28952330 0.78 LMNA (0.56) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL10266100 0.76 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA4CHRNA3ALDH1A1
SCHEMBL28520329 0.76 LMNA (0.54) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28520331 0.76 LMNA (0.54) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL18526466 0.76 LMNA (0.54) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL4760619 0.74 LMNA (0.52) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL22799246 0.74 LMNA (0.52) LMNACHRM2CHRM4CHRM5CHRM1

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-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed