SCHEMBL3714768

SCHEMBL3714768

C[C@H]1C[N+](C(=O)[O-])(C(C)(C)C)CCN1C(=O)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 3/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
ELANE P08246 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK14 Q16539 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL3719845 0.83 GAA (0.40) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL3715353 0.83 GAA (0.40) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL3718137 0.81 GHSR (0.42) CYP2C9CYP2C19HSD11B1CA12CA1
SCHEMBL3713712 0.76 LIMK2 (0.42) KDM4ETSHRTP53LMNAMAPT
SCHEMBL4970907 0.70 DPP4 (0.31)
SCHEMBL2904347 0.69
SCHEMBL2903872 0.69
SCHEMBL30671642 0.68 DPP4 (0.55) MEN1KMT2AKDM4ETSHRHTT
SCHEMBL3713071 0.67 CPS1 (0.56) MEN1KMT2AKDM4ETSHRHTT
Hydrochloric Acid SCHEMBL3712824 0.67 DPP4 (0.54) MEN1KMT2AKDM4ETSHRHTT

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