SCHEMBL7459285

SCHEMBL7459285

O=C(NC(CNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.50
ITGA2B P08514 15/20 0.50
F2R P25116 6/20 0.42
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7447055 0.91 ITGB3 (0.55) ITGB3ITGA2BF2RITGB2ICAM1
Hydrochloric Acid SCHEMBL7459643 0.90 ITGB3 (0.54) ITGB3ITGA2BF2RITGB2ICAM1
SCHEMBL8658378 0.87 KDM4E (0.41) ITGB3ITGA2BITGB2ICAM1ITGAL
SCHEMBL7459293 0.86 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL6538748 0.82 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL14426998 0.82 ITGB3 (0.51) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7461882 0.82 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7442552 0.80 KMT2A (0.40) POLB
SCHEMBL7446356 0.79 KDM4E (0.49) ITGB3ITGA2B
SCHEMBL7432848 0.78 ITGB3 (0.51) ITGB3ITGA2BF2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed