SCHEMBL7451123

SCHEMBL7451123

O=S(=O)(Oc1ccc(Cc2ccccc2)c(OCC2CCNCC2)c1)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.47
CTRC Q99895 2/20 0.45
HTR6 P50406 1/20 0.43
F10 P00742 2/20 0.43
PRSS2 P07478 2/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR3A P46098 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH1 P35367 4/20 0.39
IKBKB O14920 1/20 0.37
CHUK O15111 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
SCHEMBL6553101 0.82 F2 (0.49) F2CTRCHTR6F10PRSS2
SCHEMBL7445442 0.81 F2 (0.52) F2CTRCF10PRSS2
Hydrochloric Acid SCHEMBL6553096 0.81 F2 (0.48) F2CTRCHTR6F10PRSS2
SCHEMBL7451365 0.81 F2 (0.67) F2CTRCHTR6F10PRSS2
SCHEMBL7496894 0.78 SLC6A2 (0.50) F2CTRCHTR6F10PRSS2
Hydrochloric Acid SCHEMBL7496883 0.77 SLC6A2 (0.49) F2CTRCHTR6F10PRSS2
SCHEMBL7451490 0.77 F2 (0.70) F2CTRCHTR6F10PRSS2
SCHEMBL6553019 0.76 F2 (0.73) F2CTRCF10PRSS2
Hydrochloric Acid SCHEMBL7451487 0.76 F2 (0.69) F2CTRCHTR6F10PRSS2
SCHEMBL7435999 0.75 F2 (0.51) F2CTRCHTR6F10PRSS2

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