SCHEMBL7444583

SCHEMBL7444583

O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1CNCc1ccccc1.O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1CNCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.86
PRSS1 P07477 1/20 0.67

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
SCHEMBL7457672 0.94 F2 (0.80) F2PRSS1
SCHEMBL7455837 0.91 F2 (0.80) F2PRSS1
SCHEMBL7457712 0.90 F2 (0.79) F2PRSS1
SCHEMBL7452924 0.89 F2 (0.83) F2PRSS1
SCHEMBL7448367 0.89 F2 (0.83) F2PRSS1
SCHEMBL7453498 0.89 F2 (0.77) F2PRSS1
SCHEMBL7454595 0.89 F2 (0.77) F2PRSS1
SCHEMBL7447349 0.89 F2 (0.77) F2PRSS1
Hydrochloric Acid SCHEMBL7448347 0.89 F2 (0.81) F2PRSS1
Trifluoroacetic Acid SCHEMBL7456257 0.88 F2 (0.78) 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