SCHEMBL7285046

SCHEMBL7285046

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.73
ITGA2B P08514 1/20 0.73
PPARD Q03181 6/20 0.36
PPARA Q07869 3/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
FFAR4 Q5NUL3 5/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
SRD5A2 P31213 1/20 0.33
MASP2 O00187 1/20 0.33
LTA4H P09960 1/20 0.33
RARB P10826 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL7273255 0.93 ITGB3 (0.68) ITGB3ITGA2BPPARDPPARAFFAR1
Lefradafiban SCHEMBL7080546 0.92 ITGB3 (0.62) ITGB3ITGA2BFFAR4IRAK4MASP2
Lefradafiban SCHEMBL50399 0.92 ITGB3 (0.62) ITGB3ITGA2BFFAR4IRAK4MASP2
SCHEMBL7280992 0.90 ITGB3 (0.76) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7273484 0.89 ITGB3 (0.77) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7284983 0.89 ITGB3 (0.58) ITGB3ITGA2BFFAR4IRAK4MASP2
SCHEMBL7282312 0.89 ITGB3 (0.58) ITGB3ITGA2BIRAK4MASP2LTA4H
SCHEMBL7273446 0.88 ITGB3 (0.65) ITGB3ITGA2BPPARDPPARAFFAR1
SCHEMBL7284255 0.87 ITGB3 (0.56) ITGB3ITGA2BMASP2RARB
SCHEMBL7283682 0.87 ITGB3 (0.56) ITGB3ITGA2BPPARDPPARAIRAK4

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 7 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
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-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed