SCHEMBL7366768

SCHEMBL7366768

NN=CNc1cccc(C(CCc2ccc(C=NN)cc2)CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.52
F2 P00734 15/20 0.43
PRSS1 P07477 11/20 0.43
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7463842 0.94 F10 (0.47) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361312 0.86 F10 (0.54) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7458814 0.86 F10 (0.50) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7451765 0.84 F10 (0.45) F10F2PRSS1
SCHEMBL7367192 0.83 F10 (0.42) F10F2PRSS1
SCHEMBL7361417 0.82 F10 (0.52) F10F2PRSS1MMP12MMP13
SCHEMBL7365693 0.81 F10 (0.53) F10F2PRSS1
SCHEMBL7457522 0.80 F10 (0.53) F10F2PRSS1
SCHEMBL7459521 0.79 F10 (0.39) F10F2PRSS1
SCHEMBL7363398 0.77 F10 (0.58) F10F2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed