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SCHEMBL7989195

SCHEMBL7989195

CN(C(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2sc(CC(=O)O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.39
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ NR1D1 P20393 1/20 0.31

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
SCHEMBL7992690 0.93 ADORA1 (0.43) ADORA1PRMT5WDR77NR1D1
SCHEMBL7986751 0.89 ITGB3 (0.44) ADORA1PRMT5WDR77ITGB3ITGA2B
SCHEMBL7986784 0.88 ITGB3 (0.37) ADORA1PRMT5WDR77ITGB3ITGA2B
SCHEMBL8130693 0.88 PRMT5 (0.33) PRMT5WDR77
SCHEMBL7985979 0.83 ITGB3 (0.51) ADORA1ITGB3ITGA2B
SCHEMBL7992152 0.82 ITGB3 (0.40) ADORA1PRMT5WDR77ITGB3ITGA2B
SCHEMBL7975424 0.82 ITGB3 (0.40) ADORA1PRMT5WDR77ITGB3ITGA2B
SCHEMBL7989036 0.81 ADORA1 (0.35) ADORA1PRMT5WDR77ITGB3ITGA2B
SCHEMBL7974748 0.80 HCRTR2 (0.46) ADORA1
SCHEMBL7974753 0.80 HCRTR2 (0.46) ADORA1

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