SCHEMBL6928623

SCHEMBL6928623

CC(C)(C(=O)O)N(CC(=O)[N+]1(Cc2cc(Cl)ccc2CN)CCC[C@H]1C(N)=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.36
F10 P00742 5/20 0.34
PRSS1 P07477 5/20 0.34
PRSS2 P07478 5/20 0.34
PRSS3 P35030 5/20 0.34
F12 P00748 3/20 0.33
F7 P08709 3/20 0.33
POLQ O75417 1/20 0.30

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
SCHEMBL6927806 0.82 MAPK8 (0.34) F2
SCHEMBL6926517 0.79 F2 (0.49) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924535 0.79 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924250 0.77 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924463 0.77 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6921526 0.76 F2 (0.47) F2F10PRSS1PRSS2PRSS3
SCHEMBL6924800 0.74 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6923244 0.73 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL6926330 0.73 F2 (0.44) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL17221932 0.73 F2 (0.36) F2F10PRSS1PRSS2PRSS3

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed