SCHEMBL7454014

SCHEMBL7454014

CC(C)NCc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O.CC(C)NCc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.79
PRSS1 P07477 1/20 0.69

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
SCHEMBL7448367 0.91 F2 (0.83) F2PRSS1
SCHEMBL7453498 0.91 F2 (0.77) F2PRSS1
SCHEMBL7455837 0.89 F2 (0.80) F2PRSS1
SCHEMBL7444002 0.89 F2 (0.80) F2PRSS1
SCHEMBL7452924 0.89 F2 (0.83) F2PRSS1
SCHEMBL7450833 0.89 F2 (0.75) F2PRSS1
SCHEMBL7453299 0.89 F2 (0.79) F2PRSS1
SCHEMBL7457712 0.89 F2 (0.79) F2PRSS1
Hydrochloric Acid SCHEMBL7448347 0.89 F2 (0.81) F2PRSS1
SCHEMBL7460061 0.88 F2 (0.74) 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
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 WO disclosed