SCHEMBL7987424

SCHEMBL7987424

CN(C(=O)c1ccc(C(=N)N)cc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.73
ITGA2B P08514 6/20 0.73
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
NQO2 P16083 1/20 0.33
OPRK1 P41145 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CCR3 P51677 1/20 0.32
KDM1A O60341 1/20 0.32

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 SCHEMBL8123827 0.97 ITGB3 (0.69) ITGB3ITGA2BHTTGAATSHR
SCHEMBL7989263 0.84 ITGB3 (1.00) ITGB3ITGA2BHTTGAACCR3
SCHEMBL7985979 0.82 ITGB3 (0.51) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7988698 0.81 ITGB3 (0.93) ITGB3ITGA2BHTTGAACCR3
SCHEMBL7962201 0.77 ITGB3 (0.83) ITGB3ITGA2BCCR3
Hydrochloric Acid SCHEMBL7986123 0.77 ITGB3 (0.82) ITGB3ITGA2BCCR3
SCHEMBL7986107 0.77 ITGB3 (0.82) ITGB3ITGA2BCCR3
SCHEMBL7988741 0.77 ITGB3 (0.85) ITGB3ITGA2BHTTGAACCR3
SCHEMBL7986790 0.76 ITGB3 (0.44) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7989642 0.76 ITGB3 (0.79) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed