SCHEMBL3899012

SCHEMBL3899012

N=C(N)c1cccc(OCCN(C(=O)C(F)(F)F)c2ccc(N3CCCCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
PRSS1 P07477 10/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 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

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
SCHEMBL3896207 0.99 F10 (0.48) F10ITGB3ITGA2BPRSS1MEN1
SCHEMBL5105097 0.88 F10 (0.62) F10PRSS1
SCHEMBL3901372 0.87 F10 (0.64) F10PRSS1
SCHEMBL3903312 0.86 PRSS1 (0.46) F10PRSS1F2PLGPRSS2
SCHEMBL3903062 0.85 F10 (0.52) F10PRSS1F2PLGPRSS2
SCHEMBL3896379 0.84 PRSS1 (0.50) F10PRSS1F2PLGPRSS2
SCHEMBL3911553 0.84 F10 (0.51) F10PRSS1F2PLGPRSS2
SCHEMBL3912117 0.84 PRSS1 (0.50) F10PRSS1F2PLGPRSS2
SCHEMBL3901944 0.84 PRSS1 (0.44) F10PRSS1F2PLGPRSS2
SCHEMBL3897218 0.83 F10 (0.49) F10PRSS1F2PLGPRSS2

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
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed