SCHEMBL7360126

SCHEMBL7360126

COC(=O)CN(CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.71
PRSS1 P07477 16/20 0.71
PRSS2 P07478 12/20 0.71
PRSS3 P35030 12/20 0.71
F10 P00742 9/20 0.65
PLG P00747 2/20 0.65
PLAT P00750 2/20 0.65
F7 P08709 2/20 0.65

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 SCHEMBL7454428 0.94 F2 (0.74) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365871 0.93 F2 (0.69) F2PRSS1PRSS2PRSS3F10
SCHEMBL7365373 0.93 F2 (0.71) F2PRSS1PRSS2PRSS3F10
SCHEMBL7361079 0.88 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463140 0.88 F2 (0.72) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454693 0.85 F2 (0.69) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7362150 0.85 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL7454643 0.84 F2 (1.00) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463044 0.84 F2 (0.72) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7459282 0.84 F2 (0.62) F2PRSS1PRSS2PRSS3F10

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