SCHEMBL7284980

SCHEMBL7284980

CCOC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCC)cc3)cc2)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
ACACB O00763 2/20 0.35
MASP2 O00187 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
KLKB1 P03952 1/20 0.33
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
ACACA Q13085 1/20 0.32
LTA4H P09960 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 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
SCHEMBL7282312 0.96 ITGB3 (0.58) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL7284195 0.95 ITGB3 (0.57) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL7311942 0.93 ITGB3 (0.53) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL7273255 0.93 ITGB3 (0.68) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL8186359 0.92 ITGB3 (0.51) ITGB3ITGA2BMASP2HRH3KCNH2
SCHEMBL7301931 0.92 ITGB3 (0.51) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL7312463 0.92 ITGB3 (0.51) ITGB3ITGA2BACACBMASP2HRH3
SCHEMBL7281433 0.92 ITGB3 (0.55) ITGB3ITGA2BMASP2LTA4HPTPN1
SCHEMBL7310503 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2
SCHEMBL7278638 0.91 ITGB3 (0.50) ITGB3ITGA2BACACBMASP2SMN1; SMN2

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 5 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 claimed
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