SCHEMBL7368630

SCHEMBL7368630

COC(=O)C=CCNC(Cc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.50
F2 P00734 16/20 0.50
PRSS1 P07477 11/20 0.50
F7 P08709 1/20 0.41

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
SCHEMBL7368084 0.89 F10 (0.48) F10F2PRSS1
SCHEMBL7360769 0.77 F10 (0.52) F10F2PRSS1
SCHEMBL7364860 0.71 F10 (0.48) F10F2PRSS1
SCHEMBL7368632 0.69 F2 (0.51) F10F2PRSS1F7
SCHEMBL11490287 0.68 EPHX1 (0.42)
SCHEMBL7454445 0.67 F10 (1.00) F10F2PRSS1
SCHEMBL7403326 0.65 APAF1 (0.50)
SCHEMBL14131793 0.65 F10 (0.68) F10F2PRSS1
SCHEMBL11490284 0.64 KMT2A (0.41)
SCHEMBL7360130 0.63 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