SCHEMBL6965750

SCHEMBL6965750

C=CCOC(=O)N1CC(N2CCC(Br)C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
FPR2 P25090 1/20 0.35
CHRM1 P11229 1/20 0.34
FAAH O00519 3/20 0.34
MGLL Q99685 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KRAS P01116 1/20 0.32
NR1D1 P20393 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 0.92 L3MBTL1 (0.36) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL6970169 0.92 L3MBTL1 (0.36) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL6970899 0.92 L3MBTL1 (0.36) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL8567033 0.90 L3MBTL1 (0.40) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL6956392 0.90 CHRM1 (0.34) ERN1LMNAMAPK1RAB9ACHRM1
SCHEMBL6958360 0.80 LMNA (0.34) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL12306394 0.79 L3MBTL1 (0.38) ERN1LMNAMAPK1RAB9AFPR2
SCHEMBL29249360 0.79 L3MBTL1 (0.35) ERN1LMNAMAPK1RAB9ACHRM1
SCHEMBL6963346 0.77 SIGMAR1 (0.33) CHRM1FAAHMGLL
Bromide SCHEMBL6968332 0.77 FAAH (0.42) ERN1LMNAMAPK1RAB9ACHRM1

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