SCHEMBL7312463

SCHEMBL7312463

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
MASP2 O00187 1/20 0.32
ACACB O00763 1/20 0.32
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7310503 0.98 ITGB3 (0.51) ITGB3ITGA2BMASP2
SCHEMBL7313827 0.94 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7309280 0.93 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7313343 0.93 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7284980 0.92 ITGB3 (0.58) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7302459 0.90 ITGB3 (0.50) ITGB3ITGA2BMASP2
SCHEMBL7284195 0.89 ITGB3 (0.57) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7311942 0.89 ITGB3 (0.53) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7282312 0.88 ITGB3 (0.58) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7273255 0.87 ITGB3 (0.68) ITGB3ITGA2BMASP2ACACBKCNH2

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-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed