SCHEMBL28064794

SCHEMBL28064794

CC(=NO)c1c(F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PDK2 Q15119 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
ALK Q9UM73 1/20 0.42
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
ABCB1 P08183 2/20 0.40
PIK3CA P42336 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 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
SCHEMBL28505612 0.87 MAPT (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL27183715 0.85 MAPT (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL20140111 0.83 MAPT (0.54) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL20076106 0.82 MAPT (0.49) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL30033027 0.81 MAPT (0.48) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL31623073 0.81 MAPT (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL15754287 0.81 ALDH1A1 (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL20046277 0.81 ALDH1A1 (0.47) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL30432629 0.81 ALDH1A1 (0.47) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL4941010 0.80 LMNA (0.51) MAPTALDH1A1LMNAPDK2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712945-B 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
CN-105712945-A 2-Substituted-oxy-5-methylsulfonyl aryl piperazine acidamide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2016-06-29 CN disclosed