SCHEMBL7702471

SCHEMBL7702471

CC(C)(C)N(C(=O)O)C(Cc1ccc2ccnc(N)c2c1)C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
PRSS1 P07477 2/20 0.42
F10 P00742 3/20 0.39
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
KLKB1 P03952 4/20 0.36
DPP7 Q9UHL4 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
F11 P03951 4/20 0.33
MAP4K1 Q92918 1/20 0.33
KLK1 P06870 2/20 0.33

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
SCHEMBL7708347 0.84 KLKB1 (0.41) F2PRSS1KLKB1F11MAP4K1
SCHEMBL6439089 0.78 F2 (0.50) F2PRSS1F10KLKB1
SCHEMBL15153143 0.77 CHRM1 (0.46) DPP7HPGDTSHRGAA
SCHEMBL15153161 0.77 CHRM1 (0.46) DPP7HPGDTSHRGAA
SCHEMBL15110037 0.75 TSHR (0.42) DPP7HPGDTSHRGAA
SCHEMBL7425958 0.73 HDAC1 (0.42) F2PRSS1F10KLKB1HPGD
SCHEMBL6437958 0.69 F2 (0.53) F2PRSS1KLKB1F11KLK1
SCHEMBL4704282 0.68 CHRM1 (0.44) TSHR
Hydrochloric Acid SCHEMBL6435932 0.67 PKM (0.49)
SCHEMBL30885298 0.66 RAB9A (0.52) KLKB1HPGDKLK1

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