SCHEMBL7975790

SCHEMBL7975790

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C#N)cc1OC)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HCRTR2 O43614 5/20 0.39
FPR1 P21462 7/20 0.37
FPR2 P25090 7/20 0.37
HCRTR1 O43613 3/20 0.37
P2RY12 Q9H244 1/20 0.35
CCR3 P51677 2/20 0.34
PDE6D O43924 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE6H Q13956 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7988230 0.93 ITGB3 (0.58) ITGB3ITGA2BHCRTR2FPR1FPR2
SCHEMBL7975863 0.92 ITGB3 (0.55) ITGB3ITGA2BHCRTR2FPR1FPR2
SCHEMBL7974918 0.92 ITGB3 (0.55) ITGB3ITGA2BHCRTR2FPR1FPR2
SCHEMBL7988493 0.89 ITGB3 (0.66) ITGB3ITGA2BHCRTR2FPR1FPR2
SCHEMBL7992757 0.88 ITGB3 (0.68) ITGB3ITGA2BHCRTR2HCRTR1P2RY12
SCHEMBL7986773 0.88 ITGB3 (0.60) ITGB3ITGA2BHCRTR2HCRTR1P2RY12
SCHEMBL8133316 0.87 ITGB3 (0.54) ITGB3ITGA2BHCRTR2HCRTR1P2RY12
SCHEMBL7992684 0.86 ITGB3 (0.56) ITGB3ITGA2BHCRTR2FPR1FPR2
Trifluoroacetic Acid SCHEMBL7986769 0.85 ITGB3 (0.65) ITGB3ITGA2BHCRTR2HCRTR1P2RY12
SCHEMBL7986442 0.83 ITGB3 (0.63) 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