SCHEMBL14131982

SCHEMBL14131982

N=C(N)c1cccc(OCCNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.69
PRSS1 P07477 4/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
EPHX2 P34913 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PRSS2 P07478 1/20 0.50
C1S P09871 1/20 0.50
PRSS3 P35030 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
KMT2A Q03164 1/20 0.49

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 SCHEMBL3974775 0.95 F10 (0.64) F10PRSS1NPC1PKMEPHX2
SCHEMBL14132041 0.89 F10 (0.70) F10PRSS1NPC1PKMEPHX2
SCHEMBL14132161 0.87 F10 (0.67) F10PRSS1NPC1PKMEPHX2
SCHEMBL14132335 0.87 F10 (0.67) F10PRSS1NPC1PKMEPHX2
SCHEMBL13901217 0.86 F10 (0.67) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3902693 0.86 F10 (0.64) F10PRSS1NPC1PKMEPHX2
SCHEMBL3964336 0.85 NPC1 (0.54) F10NPC1PKMEPHX2RAB9A
SCHEMBL14132165 0.85 F10 (0.65) F10PKMSMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL3968850 0.84 F10 (0.61) F10PRSS1NPC1PKMEPHX2
Trifluoroacetic Acid SCHEMBL3910396 0.83 F10 (0.61) F10PRSS1NPC1PKMEPHX2

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
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