SCHEMBL8567033

SCHEMBL8567033

C=CCOC(=O)N1CCC(N2CCC(Br)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ERN1 O75460 1/20 0.35
FPR2 P25090 1/20 0.35
CHRM1 P11229 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL6970899 0.92 L3MBTL1 (0.36) L3MBTL1GPR119MAPK1TSHRLMNA
SCHEMBL6970169 0.92 L3MBTL1 (0.36) L3MBTL1GPR119MAPK1TSHRLMNA
SCHEMBL6968586 0.92 L3MBTL1 (0.36) L3MBTL1GPR119MAPK1TSHRLMNA
SCHEMBL6965750 0.90 ERN1 (0.35) L3MBTL1GPR119MAPK1LMNARAB9A
SCHEMBL8567886 0.85 L3MBTL1 (0.54) L3MBTL1MAPK1TSHRCHRM1NPSR1
SCHEMBL6956392 0.84 CHRM1 (0.34) GPR119MAPK1LMNARAB9AERN1
SCHEMBL12306394 0.79 L3MBTL1 (0.38) L3MBTL1GPR119MAPK1TSHRLMNA
SCHEMBL29249360 0.79 L3MBTL1 (0.35) L3MBTL1GPR119MAPK1TSHRLMNA
Bromide SCHEMBL8560104 0.77 L3MBTL1 (0.42) L3MBTL1GPR119MAPK1TSHRLMNA
Bromide SCHEMBL8899531 0.77 L3MBTL1 (0.42) L3MBTL1GPR119MAPK1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed