SCHEMBL4695519

SCHEMBL4695519

C=CCn1ncc2c1CN(C(=O)O)CC2NOCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
MCHR2 Q969V1 2/20 0.32
MCHR1 Q99705 2/20 0.32
BTK Q06187 1/20 0.32
CTSL P07711 4/20 0.32
CTSK P43235 4/20 0.32
CTSS P25774 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR183 P32249 1/20 0.32
TEAD3 Q99594 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
CTSB P07858 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
SCHEMBL4147836 0.89 LMNA (0.40)
SCHEMBL4130645 0.80 APOBEC3G (0.33)
SCHEMBL5255401 0.74
SCHEMBL4695949 0.71 TMEM97 (0.33) TMEM97SIGMAR1BTKTEAD3
SCHEMBL4695947 0.71 TMEM97 (0.33) TMEM97SIGMAR1BTKTEAD3
SCHEMBL5255776 0.68 HSD11B1 (0.32) SMN1; SMN2
SCHEMBL3305431 0.66 LMNA (0.34) SMN1; SMN2GPR183
SCHEMBL5256034 0.65 MEN1 (0.34) JAK2JAK1SMN1; SMN2
SCHEMBL4151205 0.65 TP53 (0.42) SMN1; SMN2
SCHEMBL5257162 0.64

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
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed