SCHEMBL7445690

SCHEMBL7445690

N=C(N)N1CCC(COc2cc(Cl)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
F10 P00742 2/20 0.86
PRSS2 P07478 2/20 0.86
CTRC Q99895 2/20 0.69

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
Hydrochloric Acid SCHEMBL7445684 0.99 F2 (0.98) F2F10PRSS2CTRC
SCHEMBL7448181 0.93 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7446067 0.93 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7446335 0.92 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7447411 0.91 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7439337 0.89 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7436276 0.85 F2 (1.00) F2F10PRSS2CTRC
SCHEMBL7495448 0.84 F2 (0.73) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7436274 0.84 F2 (0.98) F2F10PRSS2CTRC
Hydrochloric Acid SCHEMBL7495442 0.84 F2 (0.72) F2F10PRSS2CTRC

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 8 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 claimed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP claimed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP claimed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO claimed
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