SCHEMBL3900124

SCHEMBL3900124

CN(C)c1ccc(C(=O)N[C@@H](COc2cccc(C(=N)N)c2)CC(=O)O)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.83
PLAU P00749 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PRSS1 P07477 5/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS2 P07478 1/20 0.42
C1S P09871 1/20 0.42
PRSS3 P35030 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL3902772 0.95 F10 (0.74) F10F2F7F3
SCHEMBL3899344 0.91 F10 (1.00) F10PRSS1F2PLGPRSS2
SCHEMBL3898935 0.91 F10 (1.00) F10PRSS1F2PLGPRSS2
SCHEMBL14131785 0.90 F10 (0.83) F10PLAUPRSS1F2PLG
SCHEMBL13901150 0.90 F10 (0.83) F10PLAUPRSS1F2PLG
SCHEMBL14131786 0.89 F10 (0.92) F10PLAUPRSS1F2PLG
SCHEMBL14132009 0.89 F10 (0.65) F10PLAUALDH1A1RAB9APRSS1
SCHEMBL14132008 0.87 F10 (0.88) F10PRSS1F2PLGPRSS2
SCHEMBL3907519 0.86 F10 (0.61) F10PLAUALDH1A1RAB9AHPGD
Trifluoroacetic Acid SCHEMBL3898447 0.85 F10 (0.74) F10PRSS1F2F7F3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed