SCHEMBL8202403

SCHEMBL8202403

CCCCS(=O)(=O)NC(Cc1ccc(OCCCCC2CCN(C)CC2)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.79
ITGA2B P08514 20/20 0.79
ITGAV P06756 1/20 0.79
CHRM2 P08172 1/20 0.79
SLC6A4 P31645 1/20 0.79

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
SCHEMBL10123879 0.92 ITGB3 (0.77) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL10109362 0.91 ITGB3 (0.76) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13873863 0.90 ITGB3 (0.83) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL618214 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL17721319 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL3685 0.88 ITGB3 (1.00) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7279447 0.88 ITGB3 (0.72) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7398960 0.87 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
Hydrochloric Acid SCHEMBL8862301 0.87 ITGB3 (0.71) ITGB3ITGA2BITGAVCHRM2SLC6A4
Tirofiban SCHEMBL155170 0.87 ITGB3 (0.98) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed