SCHEMBL7314769

SCHEMBL7314769

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OCOC(=O)c4ccccc4)C(=O)N3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
MASP2 O00187 2/20 0.37
NAAA Q02083 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP13 P45452 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL7305149 0.92 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAACTSL
SCHEMBL7304612 0.92 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAACTSS
SCHEMBL7311689 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAACTSL
SCHEMBL7282413 0.91 ITGB3 (0.55) ITGB3ITGA2BMASP2NAAACTSS
SCHEMBL7302459 0.90 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAACTSL
SCHEMBL7305042 0.90 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAACTSL
SCHEMBL7283682 0.90 ITGB3 (0.56) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7273446 0.90 ITGB3 (0.65) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7308238 0.89 ITGB3 (0.49) ITGB3ITGA2BMASP2NAAACTSS
SCHEMBL7309683 0.88 ITGB3 (0.48) ITGB3ITGA2BMASP2NAAACTSL

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