SCHEMBL7986284

SCHEMBL7986284

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc(I)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 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ADORA1 P30542 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR2 O43614 5/20 0.36
P2RX7 Q99572 1/20 0.34
HCRTR1 O43613 3/20 0.33
TDP1 Q9NUW8 2/20 0.31
ROCK2 O75116 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7985802 0.94 ITGB3 (0.46) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975417 0.94 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975414 0.94 ITGB3 (0.47) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975369 0.93 ITGB3 (0.54) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7988232 0.92 ITGB3 (0.45) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975307 0.92 ITGB3 (0.58) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975356 0.91 ITGB3 (0.42) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7975357 0.91 ITGB3 (0.42) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7986800 0.90 ITGB3 (0.44) ITGB3ITGA2BADORA1KMT2AHCRTR2
SCHEMBL7986328 0.89 ITGB3 (0.39) ITGB3ITGA2BADORA1KMT2ATDP1

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