SCHEMBL7397281

SCHEMBL7397281

N=C(c1ccc(C(=O)Nc2ccc3c(c2)CN(CC(=O)O)CC3)cc1)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.68
ITGA2B P08514 7/20 0.68
TMPRSS2 O15393 5/20 0.48
PLAU P00749 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NOD1 Q9Y239 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL7396048 0.96 ITGB3 (0.74) ITGB3ITGA2BTMPRSS2PLAUL3MBTL3
SCHEMBL7393523 0.94 ITGB3 (0.60) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7435004 0.91 ITGB3 (0.67) ITGB3ITGA2BTMPRSS2PLAUL3MBTL3
SCHEMBL7392173 0.90 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7396832 0.90 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7399976 0.90 ITGB3 (0.66) ITGB3ITGA2BTMPRSS2PLAUNOD1
Hydrochloric Acid SCHEMBL7391966 0.89 ITGB3 (0.65) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7427261 0.87 ITGB3 (0.73) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7394224 0.86 ITGB3 (0.72) ITGB3ITGA2BTMPRSS2PLAUNOD1
SCHEMBL7393893 0.86 ITGB3 (0.72) ITGB3ITGA2BTMPRSS2PLAUNOD1

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-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed