SCHEMBL7311016

SCHEMBL7311016

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.66
ITGA2B P08514 2/20 0.66
PRSS1 P07477 4/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
IRAK4 Q9NWZ3 6/20 0.34
F2 P00734 2/20 0.33
LTB4R Q15722 1/20 0.32
TMPRSS2 O15393 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
Hydrochloric Acid SCHEMBL7301546 0.93 ITGB3 (0.63) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7306099 0.92 ITGB3 (0.62) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7312195 0.92 ITGB3 (0.64) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7277217 0.91 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7312835 0.91 ITGB3 (0.67) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7303593 0.91 ITGB3 (0.69) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7305244 0.90 ITGB3 (0.66) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7312948 0.90 ITGB3 (0.51) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7314901 0.89 ITGB3 (0.69) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7275270 0.88 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3

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 6 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 claimed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US claimed
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 claimed
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