SCHEMBL7284983

SCHEMBL7284983

COC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OC(C)C)C(=O)N3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.36
IRAK4 Q9NWZ3 8/20 0.35
FFAR4 Q5NUL3 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
MASP2 O00187 1/20 0.32

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
SCHEMBL7283791 0.94 ITGB3 (0.57) ITGB3ITGA2BKMT2AMAPTIRAK4
Lefradafiban SCHEMBL50399 0.93 ITGB3 (0.62) ITGB3ITGA2BMAPTIRAK4FFAR4
Lefradafiban SCHEMBL7080546 0.93 ITGB3 (0.62) ITGB3ITGA2BMAPTIRAK4FFAR4
SCHEMBL7308125 0.91 ITGB3 (0.52) ITGB3ITGA2BKMT2AMAPTIRAK4
SCHEMBL7282312 0.89 ITGB3 (0.58) ITGB3ITGA2BKMT2AMAPTIRAK4
SCHEMBL7285046 0.89 ITGB3 (0.73) ITGB3ITGA2BIRAK4FFAR4HRH3
SCHEMBL7312948 0.88 ITGB3 (0.51) ITGB3ITGA2BKMT2AIRAK4HRH3
SCHEMBL7284255 0.88 ITGB3 (0.56) ITGB3ITGA2BMASP2
Hydrochloric Acid SCHEMBL7304306 0.87 ITGB3 (0.74) ITGB3ITGA2BMAPTIRAK4
SCHEMBL7304724 0.87 ITGB3 (0.54) ITGB3ITGA2BKMT2AIRAK4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed