SCHEMBL7975307

SCHEMBL7975307

CCOC(=O)Cn1cc2c(n1)CCN(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)C2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58
ADORA1 P30542 2/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
HCRTR2 O43614 5/20 0.34
CA2 P00918 1/20 0.32
P2RX7 Q99572 1/20 0.32
HCRTR1 O43613 3/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
WDR5 P61964 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 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
SCHEMBL7988849 0.94 ITGB3 (0.57) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL8133505 0.94 ITGB3 (0.57) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7992289 0.93 ITGB3 (0.67) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7985802 0.92 ITGB3 (0.46) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7986284 0.92 ITGB3 (0.46) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975414 0.91 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975417 0.91 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7988232 0.90 ITGB3 (0.45) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL8131164 0.89 ITGB3 (0.45) ITGB3ITGA2BADORA1KMT2ALMNA
SCHEMBL7986790 0.89 ITGB3 (0.44) ITGB3ITGA2BADORA1

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