SCHEMBL6471849

SCHEMBL6471849

N=C(N)c1ccc(CN2C(=O)COc3cc(NC(=O)C(Cc4ccccc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 1.00
ITGA2B P08514 14/20 1.00
F2 P00734 4/20 0.50
F10 P00742 3/20 0.50
PRSS1 P07477 2/20 0.42
TMPRSS15 P98073 2/20 0.42

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
Acetic Acid SCHEMBL6474725 0.98 ITGB3 (1.00) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6471688 0.92 ITGB3 (0.86) ITGB3ITGA2BF2F10
SCHEMBL6471695 0.92 ITGB3 (0.86) ITGB3ITGA2BF2F10
SCHEMBL6474734 0.91 ITGB3 (0.85) ITGB3ITGA2BF2F10
SCHEMBL6471424 0.88 ITGB3 (0.79) ITGB3ITGA2BF2F10
SCHEMBL22729291 0.85 ITGB3 (1.00) ITGB3ITGA2BF2F10
Acetic Acid SCHEMBL6473904 0.84 ITGB3 (0.76) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL6471726 0.84 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL6475730 0.81 ITGB3 (1.00) ITGB3ITGA2BF2F10
Acetic Acid SCHEMBL6474255 0.80 ITGB3 (1.00) ITGB3ITGA2BF2F10

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-2005051934-A1 ANTITHROMBOTIC COMPOUNDS WITH DUAL FUNCTION UNIVERSITY OF LJUBLJANA (SI) 2005-06-09 WO disclosed