SCHEMBL7974848

SCHEMBL7974848

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.56
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.44
HCRTR2 O43614 3/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
PABPC1 P11940 1/20 0.42
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
P2RX7 Q99572 2/20 0.42
HCRTR1 O43613 1/20 0.41

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
SCHEMBL7988229 0.93 ADORA1 (0.51) ADORA1ITGB3ITGA2BKMT2AHRH2
SCHEMBL7988287 0.92 ADORA1 (0.48) ADORA1ITGB3ITGA2BKMT2APABPC1
SCHEMBL7989135 0.92 ADORA1 (0.48) ADORA1ITGB3ITGA2BKMT2AMAPK1
SCHEMBL7988765 0.90 ADORA1 (0.46) ADORA1ITGB3ITGA2BKMT2AHRH2
SCHEMBL7988313 0.89 ITGB3 (0.59) ADORA1ITGB3ITGA2BKMT2AMAPK1
SCHEMBL7986455 0.88 ADORA1 (0.43) ADORA1ITGB3ITGA2BKMT2AMAPK1
SCHEMBL7988835 0.86 KMT2A (0.42) ADORA1ITGB3ITGA2BKMT2AMAPK1
SCHEMBL7975417 0.83 ITGB3 (0.47) ADORA1ITGB3ITGA2BKMT2AHCRTR2
SCHEMBL7975414 0.83 ITGB3 (0.47) ADORA1ITGB3ITGA2BKMT2AHCRTR2
SCHEMBL7976869 0.81 ITGB3 (0.66) ADORA1ITGB3ITGA2BKMT2AHCRTR2

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