SCHEMBL7310784

SCHEMBL7310784

COC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OC4CCCCC4)C(=O)N3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
LTA4H P09960 1/20 0.33
HRH3 Q9Y5N1 4/20 0.33
PARP15 Q460N3 2/20 0.32
PARP10 Q53GL7 2/20 0.32
CACNA1B Q00975 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MIF P14174 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL7310413 1.00 ITGB3 (0.54) ITGB3ITGA2BLTA4HHRH3PARP15
SCHEMBL7314678 1.00 ITGB3 (0.54) ITGB3ITGA2BLTA4HHRH3PARP15
SCHEMBL7308669 0.99 ITGB3 (0.55) ITGB3ITGA2BLTA4HHRH3PARP15
SCHEMBL7286717 0.91 ITGB3 (0.47) ITGB3ITGA2BMAPTHTTMIF
SCHEMBL7312611 0.91 ITGB3 (0.49) ITGB3ITGA2BLTA4H
SCHEMBL7314181 0.91 ITGB3 (0.49) ITGB3ITGA2BLTA4HHRH3
Lefradafiban SCHEMBL50399 0.89 ITGB3 (0.62) ITGB3ITGA2BLTA4HHRH3MAPT
Lefradafiban SCHEMBL7080546 0.89 ITGB3 (0.62) ITGB3ITGA2BLTA4HHRH3MAPT
SCHEMBL7302880 0.87 ITGB3 (0.72) ITGB3ITGA2BLTA4HPARP15PARP10
SCHEMBL7313854 0.87 ITGB3 (0.72) ITGB3ITGA2BLTA4HPARP15PARP10

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-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP 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