SCHEMBL7445929

SCHEMBL7445929

O=S(=O)(Oc1cccc(OCC2CCCNC2)c1)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.60
CTRC Q99895 2/20 0.51
F10 P00742 2/20 0.49
PRSS2 P07478 2/20 0.49
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 1/20 0.45
MAP2K1 Q02750 1/20 0.44
HTR6 P50406 2/20 0.42
EED O75530 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 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
SCHEMBL7442091 0.89 F2 (0.66) F2CTRCF10PRSS2
SCHEMBL7451365 0.87 F2 (0.67) F2CTRCF10PRSS2SLC6A2
SCHEMBL8696239 0.81 IKBKB (0.43) F2CTRCSLC6A2SLC6A4SLC6A3
SCHEMBL7603459 0.77 F2 (0.62) F2CTRCF10PRSS2
SCHEMBL7449783 0.76 F2 (0.82) F2CTRCF10PRSS2EED
SCHEMBL6553019 0.76 F2 (0.73) F2CTRCF10PRSS2
SCHEMBL7601994 0.76 F2 (0.71) F2CTRCF10PRSS2
SCHEMBL7447411 0.75 F2 (1.00) F2CTRCF10PRSS2
SCHEMBL13107014 0.75 EED (0.67) SLC6A2SLC6A4SLC6A3MAP2K1EED
SCHEMBL7451490 0.74 F2 (0.70) F2CTRCF10PRSS2HTR6

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 5 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
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed