Benzamidine

Benzamidine

SCHEMBL7359774

CCC(CC(=O)O)c1ccc(C(=N)N)cc1.N=C(N)c1ccccc1

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.54
F2 P00734 5/20 0.51
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
F12 P00748 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PKM P14618 1/20 0.47
CPN1 P15169 1/20 0.47
CPB2 Q96IY4 1/20 0.47
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
BLM P54132 1/20 0.46
FFAR1 O14842 1/20 0.45
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.87 F10 (0.67) F10F2GABBR2GABBR1PRSS1
SCHEMBL7366288 0.85 F10 (0.64) F10F2PRSS1PRSS2PRSS3
4-Methylbenzimidamide SCHEMBL7357637 0.83 F10 (0.65) F10F2PRSS1
SCHEMBL7456785 0.82 F10 (0.71) F10F2PRSS1
SCHEMBL2484805 0.81 GABBR2 (0.66) GABBR2GABBR1BLMFFAR1RECQL
SCHEMBL240789 0.81 GABBR2 (0.66) GABBR2GABBR1BLMFFAR1RECQL
SCHEMBL6174106 0.81 GABBR2 (0.66) GABBR2GABBR1BLMFFAR1RECQL
SCHEMBL28628025 0.80 FFAR1 (0.59) GABBR2GABBR1BLMFFAR1KMT2A
Methyl Benzoate SCHEMBL7359033 0.79 F10 (0.61) F10F2PRSS1
Benzamidine SCHEMBL27697030 0.77 F2 (0.67) F10F2F12F7F3

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