SCHEMBL6958360

SCHEMBL6958360

C=CCOC(=O)N1CC(CN2CCC(Br)C2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
MGLL Q99685 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ERN1 O75460 8/20 0.32
PARP1 P09874 1/20 0.32
CHRM1 P11229 1/20 0.31
FPR2 P25090 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6965750 0.80 ERN1 (0.35) LMNAMAPK1RAB9ANR1D1FAAH
Bromide SCHEMBL6968864 0.78 FAAH (0.41) LMNAMAPK1RAB9ANR1D1FAAH
Bromide SCHEMBL6968861 0.78 FAAH (0.41) LMNAMAPK1RAB9ANR1D1FAAH
SCHEMBL6968586 0.75 L3MBTL1 (0.36) LMNAMAPK1RAB9ANR1D1FAAH
SCHEMBL6970899 0.75 L3MBTL1 (0.36) LMNAMAPK1RAB9ANR1D1FAAH
SCHEMBL6970169 0.75 L3MBTL1 (0.36) LMNAMAPK1RAB9ANR1D1FAAH
SCHEMBL8567033 0.74 L3MBTL1 (0.40) LMNAMAPK1RAB9AGPR119ERN1
SCHEMBL6956392 0.72 CHRM1 (0.34) LMNAMAPK1RAB9AFAAHMGLL
SCHEMBL9194031 0.72 NR1H2 (0.38) LMNAMAPK1RAB9ANR1D1FAAH
SCHEMBL7615268 0.71 CYP3A4 (0.35)

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