SCHEMBL7977870

SCHEMBL7977870

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(C(C)(NC(=O)OC(C)(C)C)C(=O)N3CCCC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.56
F10 P00742 11/20 0.56
PLG P00747 7/20 0.56
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ITK Q08881 5/20 0.36
PREP P48147 1/20 0.34

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
SCHEMBL7967842 0.87 F2 (0.53) F2F10PLGPRSS1PRSS2
SCHEMBL7984703 0.84 F2 (0.64) F2F10PLGPRSS1PRSS2
SCHEMBL4451660 0.82 F2 (0.58) F2F10PLGPRSS1PRSS2
SCHEMBL7415365 0.82 F2 (0.58) F2F10PLGPRSS1PRSS2
SCHEMBL7968917 0.77 F2 (0.48) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7984977 0.75 F2 (0.75) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7984275 0.74 F2 (0.70) F2F10PLGPRSS1PRSS2
SCHEMBL7980030 0.72 F2 (1.00) F2F10PLGPRSS1PRSS2
SCHEMBL7101562 0.71 F2 (0.52) F2F10PLGPRSS1PRSS2
SCHEMBL7968268 0.71 F2 (0.45) F2F10PLGPRSS1PRSS2

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed