SCHEMBL7986788

SCHEMBL7986788

CCOC(=O)Cn1nc2c(c1OC)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
ADORA1 P30542 2/20 0.37
HCRTR2 O43614 5/20 0.34
LMNA P02545 2/20 0.34
CA2 P00918 1/20 0.32
P2RX7 Q99572 1/20 0.32
HCRTR1 O43613 3/20 0.31
KMT2A Q03164 1/20 0.31
P2RY12 Q9H244 1/20 0.31
GAA P10253 1/20 0.30
ABCB1 P08183 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL7993666 0.94 ITGB3 (0.37) ITGB3ITGA2BADORA1LMNA
SCHEMBL8125176 0.94 ITGB3 (0.45) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL7975307 0.87 ITGB3 (0.58) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL8156014 0.87 ITGB3 (0.38) ITGB3ITGA2BADORA1LMNA
SCHEMBL7975256 0.87 ITGB3 (0.44) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL7985928 0.85 ADORA1 (0.48) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL8131164 0.84 ITGB3 (0.45) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL7986435 0.83 ADORA1 (0.40) ITGB3ITGA2BADORA1HCRTR2LMNA
SCHEMBL7992289 0.81 ITGB3 (0.67) ITGB3ITGA2BADORA1HCRTR2CA2
SCHEMBL7988849 0.81 ITGB3 (0.57) ITGB3ITGA2BADORA1HCRTR2CA2

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