SCHEMBL7064385

SCHEMBL7064385

Cn1nnnc1CCN(Nc1cccc(C(=N)N)c1)C(=O)Nc1cccc(-c2ccccc2)c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.40
PRSS1 P07477 11/20 0.40
PRSS2 P07478 10/20 0.40
PRSS3 P35030 10/20 0.40
F2 P00734 10/20 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
SCHEMBL7064382 0.88 F10 (0.44) F10PRSS1PRSS2PRSS3F2
SCHEMBL6224029 0.86 F10 (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL7064516 0.82 PRSS1 (0.45) F10PRSS1PRSS2PRSS3F2
SCHEMBL7059974 0.81 F10 (0.44) F10PRSS1PRSS2PRSS3F2
SCHEMBL7096305 0.72 F10 (0.54) F10PRSS1PRSS2PRSS3F2
SCHEMBL7056529 0.71 PRSS1 (0.59) F10PRSS1PRSS2PRSS3F2
SCHEMBL7064510 0.70 PRSS1 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL6226434 0.69 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL6223414 0.69 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL7059320 0.68 F2 (0.52) F10PRSS1PRSS2PRSS3F2

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
EP-1311476-A1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016315-A1 AZA-AMINO ACID DERIVATIVES (FACTOR XA-INHIBITORS 15) MERCK PATENT GMBH (DE) 2002-02-28 WO disclosed