SCHEMBL7285147

SCHEMBL7285147

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ncc(C(=N)NC(=O)OCC(C)C)cn3)cc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
IRAK4 Q9NWZ3 13/20 0.34
NR1H4 Q96RI1 1/20 0.32
MASP2 O00187 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7281873 0.93 ITGB3 (0.55) ITGB3ITGA2BIRAK4NR1H4MASP2
SCHEMBL7276046 0.84 ITGB3 (0.65) ITGB3ITGA2BIRAK4KDM4E
Lefradafiban SCHEMBL7080546 0.84 ITGB3 (0.62) ITGB3ITGA2BIRAK4MASP2FFAR4
Lefradafiban SCHEMBL50399 0.84 ITGB3 (0.62) ITGB3ITGA2BIRAK4MASP2FFAR4
SCHEMBL7337066 0.84 ITGB3 (0.53) ITGB3ITGA2BIRAK4CSNK2A2CSNK2A1
SCHEMBL7285055 0.84 ITGB3 (0.53) ITGB3ITGA2BIRAK4CSNK2A2CSNK2A1
SCHEMBL7284195 0.84 ITGB3 (0.57) ITGB3ITGA2BIRAK4MASP2KDM4E
Hydrochloric Acid SCHEMBL7278229 0.84 ITGB3 (0.64) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7302804 0.83 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7312569 0.82 ITGB3 (0.51) ITGB3ITGA2BIRAK4MASP2FFAR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed