SCHEMBL7366288

SCHEMBL7366288

CC(C)c1ccc(C(=N)N)cc1.CCC(CC(=O)O)c1cccc(C(=N)N)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.64
F2 P00734 13/20 0.52
PRSS1 P07477 9/20 0.52
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
Benzamidine SCHEMBL7366537 0.91 F10 (0.67) F10F2PRSS1
4-Methylbenzimidamide SCHEMBL7357637 0.89 F10 (0.65) F10F2PRSS1
SCHEMBL7456785 0.88 F10 (0.71) F10F2PRSS1
Benzamidine SCHEMBL7359774 0.85 F10 (0.54) F10F2PRSS1PRSS2PRSS3
Methyl Benzoate SCHEMBL7359033 0.82 F10 (0.61) F10F2PRSS1
Benzamide SCHEMBL7364697 0.81 F10 (0.55) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8346838 0.79 F10 (0.53) F10F2PRSS1
SCHEMBL7363610 0.79 F10 (0.60) F10F2PRSS1
Methyl Benzoate SCHEMBL7560351 0.77 F2 (0.55) F10F2PRSS1
Hydrochloric Acid SCHEMBL7361309 0.77 F10 (0.98) 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