SCHEMBL7975256

SCHEMBL7975256

CCOC(=O)Cn1ncc2c1CCN(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 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
ADORA1 P30542 2/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 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 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ROCK2 O75116 2/20 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
SCHEMBL8125176 0.89 ITGB3 (0.45) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7975307 0.88 ITGB3 (0.58) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL8131164 0.88 ITGB3 (0.45) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7986788 0.87 ITGB3 (0.43) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7992293 0.85 ADORA1 (0.46) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975424 0.84 ITGB3 (0.40) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7992197 0.83 ITGB3 (0.63) ITGB3ITGA2BLMNAKMT2AHCRTR2
SCHEMBL7989512 0.83 ITGB3 (0.38) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7992289 0.82 ITGB3 (0.67) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7988849 0.82 ITGB3 (0.57) ITGB3ITGA2BADORA1KMT2AHCRTR2

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