SCHEMBL5503243

SCHEMBL5503243

NCC1CCC(C(=O)NC[C@@H](c2ccccc2)c2ncc(-c3ccccc3)o2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F11 P03951 18/20 0.66
KLKB1 P03952 7/20 0.66
HIF1A Q16665 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL392453 0.79 F11 (1.00) F11KLKB1
SCHEMBL392454 0.79 F11 (1.00) F11KLKB1
SCHEMBL5499169 0.71 NOTUM (0.50) F11KLKB1
SCHEMBL8599433 0.67 ALDH1A1 (0.69) F11
SCHEMBL8599432 0.67 ALDH1A1 (0.69) F11
Hydrochloric Acid SCHEMBL3794359 0.66 ALDH1A1 (0.68) F11
Hydrochloric Acid SCHEMBL8595569 0.66 ALDH1A1 (0.68) F11
SCHEMBL23619652 0.65 F11 (0.57) F11KLKB1
SCHEMBL15679868 0.65 POLB (0.64)
SCHEMBL2105730 0.64 F11 (1.00) 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