SCHEMBL13901351

SCHEMBL13901351

N=C(N)c1cccc(OCCCNC(=O)C2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.64
PRSS1 P07477 10/20 0.55
ALDH1A1 P00352 1/20 0.53
PLG P00747 2/20 0.52
F2 P00734 1/20 0.52
PRSS2 P07478 1/20 0.52
C1S P09871 1/20 0.52
PRSS3 P35030 1/20 0.52
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
EPHX2 P34913 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PROC P04070 1/20 0.46
KLK1 P06870 1/20 0.46

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 SCHEMBL3898005 0.94 F10 (0.58) F10PRSS1ALDH1A1PLGF2
SCHEMBL13901217 0.85 F10 (0.67) F10PRSS1ALDH1A1PLGF2
SCHEMBL14132041 0.81 F10 (0.70) F10PRSS1ALDH1A1NPC1PKM
SCHEMBL14131982 0.81 F10 (0.69) F10PRSS1PLGF2PRSS2
Trifluoroacetic Acid SCHEMBL3910396 0.80 F10 (0.61) F10PRSS1ALDH1A1PLGF2
SCHEMBL14132040 0.80 F10 (0.74) F10PRSS1PLGF2NPC1
SCHEMBL14132290 0.79 F10 (0.69) F10PRSS1PLGNPC1RAB9A
SCHEMBL14132161 0.79 F10 (0.67) F10PRSS1PRSS2PRSS3NPC1
SCHEMBL14132335 0.79 F10 (0.67) F10PRSS1ALDH1A1NPC1PKM
SCHEMBL14132308 0.79 F10 (0.81) F10PRSS1ALDH1A1PLGF2

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