SCHEMBL7849327

SCHEMBL7849327

CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
SYK P43405 1/20 0.45
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 1/20 0.41
HTR2C P28335 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ABCB1 P08183 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 1/20 0.40

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
SCHEMBL7849330 1.00 PDE4B (0.47) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7849328 1.00 PDE4B (0.47) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7508945 0.89 SYK (0.47) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7849654 0.85 PDE4B (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7849655 0.85 PDE4B (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL7849653 0.85 PDE4B (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL31617924 0.85 NAMPT (0.56) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL16095438 0.83 PDE4B (0.51) PDE4BSYKHTTSMN1; SMN2NPC1
SCHEMBL23826679 0.82 HTT (0.51) PDE4BPDK1PDK2PDK3PDK4
SCHEMBL20660286 0.82 HTT (0.51) PDE4BSYKHTTSMN1; SMN2NPC1

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-0726269-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES AND SALTS THEREOF KAKEN PHARMA CO LTD (JP) 2001-09-05 EP disclosed
US-5668147-A ANTIBIOTICS, BACTERICIDES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1997-09-16 US disclosed
EP-0726269-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE AND SALT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 1996-08-14 EP disclosed