SCHEMBL7975863

SCHEMBL7975863

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
FPR1 P21462 11/20 0.41
FPR2 P25090 11/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRLHR P49683 3/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM1A O60341 1/20 0.34
F9 P00740 1/20 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
SCHEMBL7988230 0.94 ITGB3 (0.58) ITGB3ITGA2BFPR1FPR2HCRTR2
SCHEMBL7974918 0.92 ITGB3 (0.55) ITGB3ITGA2BFPR1FPR2NPSR1
SCHEMBL7975790 0.92 ITGB3 (0.54) ITGB3ITGA2BFPR1FPR2HCRTR1
SCHEMBL7988493 0.89 ITGB3 (0.66) ITGB3ITGA2BFPR1FPR2KMT2A
SCHEMBL7989233 0.88 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR1HCRTR2
SCHEMBL7986803 0.88 ITGB3 (0.61) ITGB3ITGA2BKMT2AGAAHCRTR1
SCHEMBL7992684 0.87 ITGB3 (0.56) ITGB3ITGA2BFPR1FPR2KMT2A
SCHEMBL8134308 0.87 ITGB3 (0.55) ITGB3ITGA2BKMT2AGAAHCRTR1
Trifluoroacetic Acid SCHEMBL7993427 0.85 ITGB3 (0.67) ITGB3ITGA2BKMT2AHCRTR1HCRTR2
SCHEMBL7986442 0.83 ITGB3 (0.63) ITGB3ITGA2BMEN1KMT2AHCRTR1

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