SCHEMBL6970169

SCHEMBL6970169

C=CCOC(=O)N1CC[C@H](N2CCC(Br)C2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
ERN1 O75460 5/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NR1D1 P20393 1/20 0.34
FAAH O00519 3/20 0.33
PARP1 P09874 1/20 0.33
CHRM1 P11229 1/20 0.33
MGLL Q99685 1/20 0.33
FPR2 P25090 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6968586 1.00 L3MBTL1 (0.36) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL6970899 1.00 L3MBTL1 (0.36) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL8567033 0.92 L3MBTL1 (0.40) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL6965750 0.92 ERN1 (0.35) L3MBTL1GPR119ERN1LMNAMAPK1
SCHEMBL29249360 0.86 L3MBTL1 (0.35) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL12306394 0.86 L3MBTL1 (0.38) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL6956392 0.85 CHRM1 (0.34) GPR119ERN1LMNAMAPK1RAB9A
SCHEMBL30862337 0.80 L3MBTL1 (0.36) L3MBTL1GPR119ERN1TSHRLMNA
SCHEMBL17387532 0.78 L3MBTL1 (0.39) L3MBTL1GPR119LMNAMAPK1RAB9A
SCHEMBL6963967 0.78 L3MBTL1 (0.39) L3MBTL1GPR119LMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849269-B9 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2003-03-05 EP disclosed
EP-0849269-B1 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2002-07-10 EP disclosed
US-5981519-A Vinyl-pyrrolidinone cephalosporins HOFFMAN-LA ROCHE INC. (US) 1999-11-09 US disclosed
EP-0849269-A1 Vinyl pyrrolidine cephalosporins with basic substituents F. HOFFMANN-LA ROCHE AG (CH) 1998-06-24 EP disclosed