SCHEMBL7888115

SCHEMBL7888115

C[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.52
NAMPT P43490 3/20 0.51
MAPT P10636 2/20 0.50
SETD7 Q8WTS6 1/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CCR3 P51677 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
HDAC1 Q13547 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL7893585 0.91 NAMPT (0.51) RBP4NAMPTMAPTSETD7KDM4E
SCHEMBL3714521 0.83 KDM4E (0.55) RBP4MAPTNPC1TP53RAB9A
SCHEMBL3599162 0.82 MAPT (0.68) RBP4NAMPTMAPTKDM4EALDH1A1
SCHEMBL31587841 0.81 SETD7 (0.65) SETD7PDK1PDK2PDK3PDK4
SCHEMBL14122007 0.80 SETD7 (0.52) SETD7KDM4EPDK1PDK2PDK3
SCHEMBL19284201 0.79 MEN1 (0.50) NAMPTMAPTSETD7NPC1TP53
SCHEMBL16707786 0.79 MAPT (0.73) RBP4NAMPTMAPTKDM4EALDH1A1
SCHEMBL3709509 0.78 KDM4E (0.51) RBP4MAPTNPC1TP53RAB9A
SCHEMBL19284243 0.78 ALDH1A1 (0.58) NAMPTMAPTSETD7NPC1RAB9A
SCHEMBL3605934 0.78 NAMPT (0.48) RBP4NAMPTMAPTKDM4ECCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed