SCHEMBL7566890

SCHEMBL7566890

Nc1nccc2cc(CNC(=O)[C@@H]3CCN3C(=O)C(NC(=O)c3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.54
F2 P00734 7/20 0.54
KLKB1 P03952 7/20 0.49
KLK1 P06870 7/20 0.49
F10 P00742 3/20 0.48
F7 P08709 3/20 0.48
F3 P13726 1/20 0.48
F12 P00748 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
F9 P00740 1/20 0.46

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
SCHEMBL6434772 0.88 F11 (0.55) F11F2KLKB1KLK1F10
SCHEMBL6434756 0.88 F11 (0.55) F11F2KLKB1KLK1F10
SCHEMBL6436504 0.88 F11 (0.54) F11F2KLKB1KLK1F10
SCHEMBL6436505 0.88 F11 (0.54) F11F2KLKB1KLK1F10
SCHEMBL6438353 0.87 F11 (0.53) F11F2KLKB1KLK1F10
SCHEMBL6438358 0.87 F11 (0.53) F11F2KLKB1KLK1F10
SCHEMBL6439323 0.85 F11 (0.62) F11F2F10F7F3
SCHEMBL6435697 0.85 F11 (0.60) F11F2KLKB1KLK1F10
SCHEMBL6438813 0.85 F11 (0.62) F11F2F10F7F3
SCHEMBL7708322 0.85 F11 (0.60) F11F2KLKB1KLK1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed