SCHEMBL7282312

SCHEMBL7282312

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HRH3 Q9Y5N1 2/20 0.33
KCNH2 Q12809 1/20 0.33
ACACB O00763 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
MASP2 O00187 1/20 0.32
HRH2 P25021 2/20 0.32
HRH1 P35367 2/20 0.32
LTA4H P09960 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

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
SCHEMBL7284980 0.96 ITGB3 (0.58) ITGB3ITGA2BHRH3KCNH2ACACB
SCHEMBL7284195 0.94 ITGB3 (0.57) ITGB3ITGA2BHRH3KCNH2ACACB
SCHEMBL7284255 0.93 ITGB3 (0.56) ITGB3ITGA2BMASP2
Lefradafiban SCHEMBL7080546 0.93 ITGB3 (0.62) ITGB3ITGA2BHRH3KDM4EIRAK4
Lefradafiban SCHEMBL50399 0.93 ITGB3 (0.62) ITGB3ITGA2BHRH3KDM4EIRAK4
SCHEMBL7281433 0.92 ITGB3 (0.55) ITGB3ITGA2BMASP2LTA4HPTPN1
SCHEMBL7311942 0.92 ITGB3 (0.53) ITGB3ITGA2BHRH3KCNH2ACACB
SCHEMBL7312948 0.90 ITGB3 (0.51) ITGB3ITGA2BHRH3KCNH2ACACB
SCHEMBL8186359 0.90 ITGB3 (0.51) ITGB3ITGA2BHRH3KCNH2MASP2
SCHEMBL7306622 0.90 ITGB3 (0.51) ITGB3ITGA2BHRH3KCNH2ACACB

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