SCHEMBL7360130

SCHEMBL7360130

COC(=O)CNCC(c1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.58
F2 P00734 16/20 0.58
PRSS1 P07477 13/20 0.58

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
SCHEMBL7365375 0.95 F10 (0.56) F10F2PRSS1
SCHEMBL31477970 0.78 KMT2A (0.52)
SCHEMBL7454445 0.74 F10 (1.00) F10F2PRSS1
SCHEMBL31477951 0.73 CNR2 (0.52)
SCHEMBL7362905 0.72 F10 (0.53) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8343408 0.71 F10 (0.89) F10F2PRSS1
Methyl Benzoate SCHEMBL7359033 0.70 F10 (0.61) F10F2PRSS1
SCHEMBL7366288 0.68 F10 (0.64) F10F2PRSS1
SCHEMBL8343396 0.68 F10 (0.84) F10F2PRSS1
Benzamidine SCHEMBL7366537 0.68 F10 (0.67) 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