SCHEMBL5518487

SCHEMBL5518487

NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3nc(C(=O)O)cs3)c[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.56
KLKB1 P03952 11/20 0.56

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
SCHEMBL5518495 1.00 F11 (0.56) F11KLKB1
SCHEMBL393123 0.92 F11 (0.55) F11KLKB1
SCHEMBL393122 0.92 F11 (0.55) F11KLKB1
SCHEMBL391515 0.86 F11 (0.66) F11KLKB1
SCHEMBL391514 0.86 F11 (0.66) F11KLKB1
SCHEMBL5098567 0.86 F11 (0.57) F11KLKB1
SCHEMBL5098572 0.86 F11 (0.57) F11KLKB1
SCHEMBL27673984 0.86 F11 (0.57) F11KLKB1
SCHEMBL393058 0.85 F11 (0.70) F11KLKB1
SCHEMBL395546 0.85 F11 (0.70) 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