SCHEMBL9026200

SCHEMBL9026200

CC(=O)c1n[nH]c(C)c1CCOC(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAD52 P43351 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL9026160 0.82 HCAR2 (0.37) PDE4DHCAR2MAPTSMN1; SMN2
SCHEMBL9025654 0.80 HCAR2 (0.40) PDE4DHCAR2SMN1; SMN2
SCHEMBL9025697 0.75 KDM4E (0.43) HCAR2
SCHEMBL9024908 0.73 HCAR2 (0.31) HCAR2
SCHEMBL8536313 0.71 HCAR2 (0.43) PDE4DCYP1A2L3MBTL1HCAR2
SCHEMBL9037584 0.71 HCAR2 (0.36) HCAR2
SCHEMBL9027062 0.70 HCAR2 (0.33) PDE4DHCAR2
SCHEMBL27919832 0.69 SMN1; SMN2 (0.46) PDE4DALDH1A1MAPTSMN1; SMN2
SCHEMBL9026702 0.68 NPC1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL16965084 0.68 CHRNB2 (0.71) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed