SCHEMBL8633119

SCHEMBL8633119

CCCC(=O)ON1CCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
ACACB O00763 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR119 Q8TDV5 5/20 0.39

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
SCHEMBL8627028 0.87 PDK2 (0.48) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7230875 0.81 PDK2 (0.52) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL8627023 0.79 ITGB3 (0.50) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL8897232 0.78 MAPT (0.46) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7228535 0.77 PDK2 (0.46) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL5863853 0.76 PDK2 (0.50) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7237081 0.76 SMN1; SMN2 (0.54) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7235836 0.75 PDK2 (0.53) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7235709 0.75 PDK2 (0.46) PDK2LMNAMAPTALDH1A1NAMPT
SCHEMBL7381195 0.75 ITGB3 (0.56) PDK2LMNAMAPTALDH1A1NAMPT

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
US-5719162-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-17 US disclosed
US-5719144-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-17 US disclosed