SCHEMBL5879561

SCHEMBL5879561

O=C(O)CC1c2ccccc2C(=O)N(CC(=O)NCc2cccnc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.70
ITGAV P06756 19/20 0.70
TSHR P16473 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL5879584 0.89 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL5879843 0.82 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5880224 0.79 ITGB3 (1.00) ITGB3ITGAV
Acetic Acid SCHEMBL5879785 0.79 ITGB3 (0.76) ITGB3ITGAV
SCHEMBL5879713 0.78 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879963 0.77 ITGB3 (0.90) ITGB3ITGAV
SCHEMBL5879583 0.77 ITGB3 (0.64) ITGB3ITGAV
SCHEMBL5879727 0.76 ITGB3 (0.66) ITGB3ITGAV
SCHEMBL5879560 0.76 ITGB3 (0.65) ITGB3ITGAV
Hydrochloric Acid SCHEMBL5879699 0.76 ITGB3 (0.98) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed