SCHEMBL7403772

SCHEMBL7403772

CC(=N)NCCC(c1nc2ccccc2[nH]1)c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.47
F7 P08709 3/20 0.47
F2 P00734 3/20 0.47
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
PLAU P00749 2/20 0.41
PRSS1 P07477 2/20 0.41
ALDH1A1 P00352 1/20 0.40
FPR1 P21462 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PADI2 Q9Y2J8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PLG P00747 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F9 P00740 1/20 0.39

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
SCHEMBL7510086 0.87 F10 (0.45) F10F7F2KLK1KLK5
SCHEMBL7405163 0.85 F2 (0.53) F10F7F2KLK1KLK5
SCHEMBL7397941 0.84 F7 (0.50) F10F7F2KLK1KLK5
SCHEMBL7408796 0.82 F2 (0.44) F10F7F2KLK1KLK5
SCHEMBL7406501 0.80 F2 (0.53) F10F7F2KLK1KLK5
SCHEMBL7403000 0.80 F10 (0.58) F10F7F2KLK1KLK5
SCHEMBL7406060 0.80 F10 (0.46) F10F7F2KLK1KLK5
SCHEMBL7405075 0.78 F2 (0.44) F10F7F2PRSS1ALDH1A1
SCHEMBL7510263 0.78 F2 (0.43) F10F7F2KLK1KLK5
SCHEMBL7409134 0.78 F2 (0.55) F10F7F2KLK1KLK5

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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed