SCHEMBL7708347

SCHEMBL7708347

CC(C)(C)N(C(=O)O)C(Cc1ccc2c(N)nccc2c1)C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.41
MAP4K1 Q92918 1/20 0.41
KLK1 P06870 8/20 0.41
F2 P00734 4/20 0.40
PRSS1 P07477 1/20 0.40
ROCK1 Q13464 4/20 0.38
F11 P03951 2/20 0.37
C1S P09871 1/20 0.36
ROCK2 O75116 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRMT3 O60678 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PRMT7 Q9NVM4 1/20 0.36

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
SCHEMBL7702471 0.84 F2 (0.42) KLKB1MAP4K1KLK1F2PRSS1
SCHEMBL6437972 0.79 F2 (0.49) KLKB1MAP4K1KLK1F2PRSS1
SCHEMBL4704282 0.79 CHRM1 (0.44)
SCHEMBL4705390 0.77 TSHR (0.46)
SCHEMBL4704760 0.75 CHRM1 (0.48) KCNH2
SCHEMBL7431443 0.74 KLKB1 (0.44) KLKB1MAP4K1KLK1ROCK1C1S
SCHEMBL4702059 0.71 OPRD1 (0.41)
SCHEMBL15153143 0.69 CHRM1 (0.46)
SCHEMBL15153161 0.69 CHRM1 (0.46)
SCHEMBL3738889 0.69 CTSD (0.40)

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