SCHEMBL8549170

SCHEMBL8549170

CCCCS(=O)(=O)NC(CN(C=O)c1cc(OCCCNC2N=CCCN2)no1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.36
ITGA2B P08514 17/20 0.36
ITGAV P06756 4/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7399991 0.88 ITGB3 (0.38) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7403041 0.83 ITGB3 (0.42) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7399995 0.82 ITGB3 (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8647511 0.75
SCHEMBL7401916 0.74 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7396416 0.70 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL7980585 0.70 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7985923 0.69 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7402815 0.68 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7406670 0.68 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP claimed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed