SCHEMBL7548937

SCHEMBL7548937

CC(C)(C)OC(=O)N1CCCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.63
F10 P00742 2/20 0.63
PRSS2 P07478 2/20 0.63
CTRC Q99895 2/20 0.63
SCN9A Q15858 1/20 0.47
CHEK2 O96017 1/20 0.45
KDM1A O60341 1/20 0.44
ACKR3 P25106 1/20 0.44
PFKFB3 Q16875 1/20 0.43
HTR6 P50406 2/20 0.43
BCHE P06276 1/20 0.43
KAT6A Q92794 1/20 0.43
KAT5 Q92993 1/20 0.43

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
SCHEMBL7443994 0.92 F2 (0.76) F2F10PRSS2CTRC
SCHEMBL7443374 0.89 F2 (0.72) F2F10PRSS2CTRC
SCHEMBL7449783 0.85 F2 (0.82) F2F10PRSS2CTRC
SCHEMBL7601940 0.82 F2 (0.75) F2F10PRSS2CTRC
SCHEMBL3443784 0.81 CHEK2 (0.56) SCN9ACHEK2KDM1AACKR3HTR6
SCHEMBL3443787 0.81 CHEK2 (0.56) SCN9ACHEK2KDM1AACKR3HTR6
SCHEMBL6553001 0.81 F2 (0.76) F2F10PRSS2CTRC
SCHEMBL7441896 0.80 F2 (0.78) F2F10PRSS2CTRC
SCHEMBL9901066 0.80 SCN9A (0.54) SCN9ACHEK2KDM1AACKR3PFKFB3
SCHEMBL15638179 0.80 CHEK2 (0.51) SCN9ACHEK2KDM1AACKR3PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed