SCHEMBL7095593

SCHEMBL7095593

CCOC(=O)c1cc2ccccc2n1C(C)CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.45
NOD1 Q9Y239 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SYK P43405 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 2/20 0.41
BRD4 O60885 2/20 0.41
KDM4A O75164 1/20 0.39
NR1H2 P55055 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.37
SERPINE1 P05121 1/20 0.37

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
SCHEMBL5361095 0.89 MAPT (0.45) NOD2NOD1MEN1KMT2ASYK
SCHEMBL5361079 0.89 MAPT (0.45) NOD2NOD1MEN1KMT2ASYK
SCHEMBL1980013 0.88 SERPINE1 (0.40) NOD2NOD1MEN1KMT2ASYK
SCHEMBL5357070 0.87 NOD2 (0.38) NOD2NOD1SYKKDM4EBRD4
SCHEMBL5356345 0.87 AAK1 (0.44) SYKSMN1; SMN2PCSK9TSHRSERPINE1
SCHEMBL5356339 0.87 AAK1 (0.44) SYKSMN1; SMN2PCSK9TSHRSERPINE1
SCHEMBL5357064 0.87 NOD2 (0.38) NOD2NOD1SYKKDM4EBRD4
SCHEMBL5357000 0.86 SYK (0.40) NOD2NOD1MEN1KMT2ASYK
SCHEMBL5357004 0.86 SYK (0.40) NOD2NOD1MEN1KMT2ASYK
SCHEMBL5351582 0.85 SYK (0.36) NOD2NOD1SYKPCSK9TSHR

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
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed