SCHEMBL7986800

SCHEMBL7986800

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc(OCc3ccccc3)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 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ACE P12821 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.39
HCRTR2 O43614 2/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
YAP1 P46937 3/20 0.38
P2RX7 Q99572 5/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7975414 0.95 ITGB3 (0.47) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7975417 0.95 ITGB3 (0.47) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7989496 0.94 ITGB3 (0.51) ITGB3ITGA2BACEKMT2AHCRTR2
SCHEMBL7985802 0.90 ITGB3 (0.46) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7986284 0.90 ITGB3 (0.46) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7988232 0.89 ITGB3 (0.45) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7992487 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7992489 0.89 ITGB3 (0.54) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7975307 0.88 ITGB3 (0.58) ITGB3ITGA2BKMT2AADORA1HCRTR2
SCHEMBL7975356 0.87 ITGB3 (0.42) ITGB3ITGA2BKMT2AADORA1HCRTR2

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