SCHEMBL7459293

SCHEMBL7459293

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.59
ITGA2B P08514 19/20 0.59
F2R P25116 5/20 0.45

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
SCHEMBL7447064 0.91 ITGB3 (0.65) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7459657 0.90 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL8658382 0.86 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7459285 0.86 ITGB3 (0.50) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7441604 0.83 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7451081 0.82 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL6538753 0.82 ITGB3 (0.61) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7461899 0.81 ITGB3 (0.61) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7451594 0.78 ITGB3 (0.81) ITGB3ITGA2BF2R
SCHEMBL6539879 0.78 ITGB3 (0.63) 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