SCHEMBL5879550

SCHEMBL5879550

O=C(O)CN1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.73
ITGAV P06756 17/20 0.73
SMN1; SMN2 Q16637 1/20 0.50

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 SCHEMBL5879699 0.84 ITGB3 (0.98) ITGB3ITGAV
SCHEMBL5029896 0.76 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5879849 0.76 ITGB3 (0.89) ITGB3ITGAV
SCHEMBL6444182 0.76 ITGB3 (0.56) ITGB3ITGAV
SCHEMBL5879624 0.75 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879713 0.74 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879577 0.72 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5879901 0.72 ITGB3 (0.73) ITGB3ITGAV
SCHEMBL10512492 0.72 MMP2 (0.56) ITGB3ITGAVSMN1; SMN2
SCHEMBL5879678 0.72 ITGB3 (1.00) 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