SCHEMBL7986803

SCHEMBL7986803

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(N)=S)cc1F)C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.61
ITGA2B P08514 5/20 0.61
HCRTR2 O43614 5/20 0.37
HCRTR1 O43613 3/20 0.37
KMT2A Q03164 2/20 0.36
WDR5 P61964 1/20 0.36
CCR3 P51677 3/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CA2 P00918 1/20 0.33
P2RX7 Q99572 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
SCHEMBL7986442 0.94 ITGB3 (0.63) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7989233 0.94 ITGB3 (0.69) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7988872 0.92 ITGB3 (0.61) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7986773 0.92 ITGB3 (0.60) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
Trifluoroacetic Acid SCHEMBL7993427 0.91 ITGB3 (0.67) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7975863 0.88 ITGB3 (0.55) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7989513 0.88 ITGB3 (0.71) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7989575 0.87 ITGB3 (0.62) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL8134308 0.86 ITGB3 (0.55) ITGB3ITGA2BHCRTR2HCRTR1KMT2A
SCHEMBL7986245 0.86 ITGB3 (0.69) ITGB3ITGA2BHCRTR2HCRTR1CCR3

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-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