SCHEMBL8364162

SCHEMBL8364162

COc1cc(OCC2CCCN(C(=O)OC(C)(C)C)C2)cc(OS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.48
F10 P00742 1/20 0.48
PRSS2 P07478 1/20 0.48
CTRC Q99895 1/20 0.48
SCN9A Q15858 1/20 0.43
CHEK2 O96017 1/20 0.42
ACKR3 P25106 1/20 0.42
HTR6 P50406 3/20 0.41
BCHE P06276 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KAT7 O95251 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
SLC2A1 P11166 1/20 0.39
PFKFB3 Q16875 1/20 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
SCHEMBL8366342 0.79 F2 (0.42) F2F10PRSS2CTRCHTR6
SCHEMBL7443994 0.79 F2 (0.76) F2F10PRSS2CTRC
SCHEMBL7548937 0.78 F2 (0.63) F2F10PRSS2CTRCSCN9A
SCHEMBL7601940 0.75 F2 (0.75) F2F10PRSS2CTRCSLC2A1
SCHEMBL7441747 0.73 F2 (0.77) F2F10PRSS2CTRC
SCHEMBL3443784 0.73 CHEK2 (0.56) SCN9ACHEK2ACKR3HTR6BCHE
SCHEMBL3443787 0.73 CHEK2 (0.56) SCN9ACHEK2ACKR3HTR6BCHE
SCHEMBL9901066 0.72 SCN9A (0.54) SCN9ACHEK2ACKR3ALOX5APFEN1
SCHEMBL15638179 0.72 CHEK2 (0.51) SCN9ACHEK2ACKR3HTR6BCHE
SCHEMBL29576187 0.72 CHEK2 (0.51) SCN9ACHEK2ACKR3HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed