SCHEMBL8907806

SCHEMBL8907806

CCc1c(-c2ccccc2)n(Cc2cccc(C(=N)N)c2)c(=O)n1Cc1cccc(C(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.50
F2 P00734 3/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 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
SCHEMBL8604900 0.97 F10 (0.53) F10F2
SCHEMBL7364511 0.89 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL8442914 0.88 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL8443278 0.86 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL8908041 0.85 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8909339 0.83 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL8909337 0.82 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL8909375 0.81 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8441533 0.80 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL8438856 0.80 F10 (0.49) F10F2PRSS1PRSS2PRSS3

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-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed