SCHEMBL7366964

SCHEMBL7366964

N[N+](=O)c1cc(C[CH]C(=O)N2CCC(CCF)CC2)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
F2 P00734 3/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
TEAD1 P28347 2/20 0.33
TEAD3 Q99594 1/20 0.33
PARP14 Q460N5 1/20 0.32
F10 P00742 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL7365153 0.83 LMNA (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7360351 0.73 PARP14 (0.40) TEAD1PARP14GRIN2DGRIN3BGRIN1
SCHEMBL7364168 0.73 PRSS1 (0.40) ACHEF2PRSS1PRSS2PRSS3
SCHEMBL7366968 0.71 OPRK1 (0.43)
SCHEMBL7364619 0.70 BTK (0.37) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7363740 0.66 GRIN2D (0.44) F2PRSS1PRSS2PRSS3GRIN2D
SCHEMBL7365927 0.66 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7444511 0.65 PARP14 (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL7369282 0.65 HTR2A (0.38) TEAD1TEAD3PARP14GRIN2BCYP2C9
SCHEMBL7364589 0.65 ALDH1A1 (0.50) LMNA

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed