SCHEMBL7508945

SCHEMBL7508945

CC(C)(C)OC(=O)NCC1CN(C(=O)OCc2ccccc2)CC1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
PDE4B Q07343 1/20 0.47
HTT P42858 1/20 0.46
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 1/20 0.43
NAMPT P43490 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3107581 0.91 NAMPT (0.47) SYKHTTCTSLSMN1; SMN2MAPT
SCHEMBL3273815 0.91 NAMPT (0.47) SYKHTTCTSLSMN1; SMN2MAPT
SCHEMBL3274653 0.91 NAMPT (0.47) SYKHTTCTSLSMN1; SMN2MAPT
SCHEMBL3272843 0.91 NAMPT (0.47) SYKHTTCTSLSMN1; SMN2MAPT
SCHEMBL18264040 0.91 NAMPT (0.47) SYKHTTCTSLSMN1; SMN2MAPT
SCHEMBL20660286 0.91 HTT (0.51) SYKPDE4BHTTCTSLSMN1; SMN2
SCHEMBL20660289 0.91 HTT (0.51) SYKPDE4BHTTCTSLSMN1; SMN2
SCHEMBL20660291 0.91 HTT (0.51) SYKPDE4BHTTCTSLSMN1; SMN2
SCHEMBL7849327 0.89 PDE4B (0.47) SYKPDE4BHTTCTSLSMN1; SMN2
SCHEMBL7849328 0.89 PDE4B (0.47) SYKPDE4BHTTCTSLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 WO disclosed