SCHEMBL14145604

SCHEMBL14145604

C/N=C(\N)NOCCNC(=O)Cn1c(C)ccc(NCCc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59
PRSS1 P07477 12/20 0.59
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
F10 P00742 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL5112954 0.81 F2 (0.63) F2PRSS1PRSS2PRSS3F10
SCHEMBL8367165 0.79 F2 (0.63) F2PRSS1
SCHEMBL4420702 0.77 F2 (0.62) F2PRSS1
Trifluoroacetic Acid SCHEMBL5124661 0.75 F2 (0.69) F2PRSS1PRSS2PRSS3F10
SCHEMBL5753662 0.74 F2 (0.64) F2PRSS1F10
SCHEMBL3244661 0.74 F2 (0.69) F2PRSS1PRSS2PRSS3
SCHEMBL5757596 0.74 F2 (0.69) F2PRSS1PRSS2PRSS3F10
SCHEMBL5754201 0.74 F2 (0.65) F2PRSS1PRSS2PRSS3F10
SCHEMBL14145225 0.74 ELANE (0.60) F2PRSS1
SCHEMBL4422918 0.72 F2 (0.56) F2PRSS1

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-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed