SCHEMBL7989513

SCHEMBL7989513

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1C)C2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.71
ITGA2B P08514 5/20 0.71
HCRTR2 O43614 5/20 0.36
CCR3 P51677 4/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 3/20 0.34

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 SCHEMBL7993134 0.96 ITGB3 (0.68) ITGB3ITGA2BHCRTR2CCR3F10
SCHEMBL7986245 0.94 ITGB3 (0.69) ITGB3ITGA2BHCRTR2CCR3LMNA
SCHEMBL7989233 0.94 ITGB3 (0.69) ITGB3ITGA2BHCRTR2CCR3KMT2A
SCHEMBL7992757 0.94 ITGB3 (0.68) ITGB3ITGA2BHCRTR2CCR3F10
SCHEMBL7986442 0.93 ITGB3 (0.63) ITGB3ITGA2BHCRTR2CCR3KMT2A
SCHEMBL7962201 0.93 ITGB3 (0.83) ITGB3ITGA2BHCRTR2CCR3KMT2A
Hydrochloric Acid SCHEMBL7986123 0.92 ITGB3 (0.82) ITGB3ITGA2BHCRTR2CCR3KMT2A
Trifluoroacetic Acid SCHEMBL7993427 0.91 ITGB3 (0.67) ITGB3ITGA2BHCRTR2CCR3KMT2A
Trifluoroacetic Acid SCHEMBL7975186 0.91 ITGB3 (0.66) ITGB3ITGA2BHCRTR2CCR3LMNA
Trifluoroacetic Acid SCHEMBL7986769 0.90 ITGB3 (0.65) ITGB3ITGA2BHCRTR2CCR3KMT2A

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