SCHEMBL7705499

SCHEMBL7705499

CN(C(=O)[C@@H]1CCN1C(=O)C(NCC(=O)O)C1CCCCC1)c1cc2c(N)nccc2s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.36
PRSS1 P07477 4/20 0.35
PLAT P00750 1/20 0.35
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
F11 P03951 7/20 0.32
STAT6 P42226 2/20 0.32
STAT5A P42229 2/20 0.32
STAT5B P51692 2/20 0.32

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
SCHEMBL6718116 0.82 F2 (0.44) F2PRSS1PLATF11
SCHEMBL6436747 0.82 F2 (0.44) F2PRSS1PLATF11
SCHEMBL7969522 0.80 F2 (0.40) F2PRSS1PLATF11STAT6
SCHEMBL7702444 0.77 F7 (0.35) F2PRSS1F11STAT6STAT5A
SCHEMBL6436257 0.74 F2 (0.47) F2PRSS1PLATF11
SCHEMBL6436260 0.74 F2 (0.47) F2PRSS1PLATF11
SCHEMBL6436637 0.73 F11 (0.56) F2PRSS1PLATF11
SCHEMBL6436645 0.73 F11 (0.56) F2PRSS1PLATF11
SCHEMBL6436284 0.73 F2 (0.44) F2PRSS1PLATF11
SCHEMBL6436292 0.73 F2 (0.44) F2PRSS1PLATF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed