SCHEMBL8170705

SCHEMBL8170705

CN(C)C(=N)c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)cc1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.79
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL8170664 0.89 F10 (1.00) F10
SCHEMBL8158905 0.85 F10 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL8165908 0.83 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL8164060 0.83 F10 (0.80) F10F2
SCHEMBL8164832 0.82 F10 (0.80) F10F2
SCHEMBL8165468 0.82 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL8405131 0.81 F10 (0.66) F10
SCHEMBL8164095 0.80 F10 (1.00) F10
SCHEMBL8159468 0.78 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL8163632 0.78 F10 (0.80) F10

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
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed