SCHEMBL7985759

SCHEMBL7985759

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
HCRTR2 O43614 5/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HCRTR1 O43613 3/20 0.34
ALDH1A1 P00352 2/20 0.33
CTSS P25774 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
LMNA P02545 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
SCHEMBL7975424 0.94 ITGB3 (0.40) ADORA1HCRTR2KMT2AMEN1HTT
SCHEMBL7986852 0.91 ADORA1 (0.46) ADORA1HCRTR2KMT2AITGB3ITGA2B
SCHEMBL7986850 0.91 ADORA1 (0.46) ADORA1HCRTR2KMT2AITGB3ITGA2B
SCHEMBL7986216 0.90 ADORA1 (0.33) ADORA1ITGB3ITGA2BALDH1A1PRMT5
SCHEMBL7989321 0.88 ADORA1 (0.40) ADORA1HCRTR2KMT2AITGB3ITGA2B
SCHEMBL7986394 0.88 ADORA1 (0.40) ADORA1HCRTR2KMT2AITGB3ITGA2B
SCHEMBL7989036 0.87 ADORA1 (0.35) ADORA1KMT2AMEN1HTTITGB3
SCHEMBL7974847 0.87 ADORA1 (0.39) ADORA1HCRTR2KMT2AITGB3ITGA2B
SCHEMBL7975776 0.87 HCRTR2 (0.47) ADORA1HCRTR2KMT2AHCRTR1
SCHEMBL7975773 0.87 HCRTR2 (0.47) ADORA1HCRTR2KMT2AHCRTR1

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