SCHEMBL5504637

SCHEMBL5504637

NCC1CCCCC1C(=O)N[C@@H](Cc1ccccc1)c1nn(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.71
KLKB1 P03952 18/20 0.71
F10 P00742 1/20 0.41

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
SCHEMBL393593 0.83 F11 (1.00) F11KLKB1
SCHEMBL393592 0.83 F11 (1.00) F11KLKB1
SCHEMBL393927 0.79 F11 (0.66) F11KLKB1
SCHEMBL12606833 0.63 CYP3A4 (0.47)
SCHEMBL19191290 0.63 F11 (0.44) F11KLKB1
SCHEMBL13973860 0.61 ATM (0.46) F11KLKB1
SCHEMBL2331896 0.61 F11 (0.70) F11KLKB1
SCHEMBL2325164 0.61 F11 (0.70) F11KLKB1
SCHEMBL11188191 0.60 F11 (0.42) F11KLKB1
SCHEMBL391514 0.59 F11 (0.66) F11KLKB1

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-1773786-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2005123050-A2 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-29 WO disclosed