SCHEMBL7159286

SCHEMBL7159286

N=C(N)c1ccc(CNC(Cc2ccc(O)cc2)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.83
ITGA2B P08514 11/20 0.83
F2 P00734 6/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
PLG P00747 1/20 0.41
TMPRSS11D O60235 1/20 0.38

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
Lamifiban SCHEMBL871446 0.91 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
Lamifiban SCHEMBL4683 0.91 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7285135 0.84 ITGB3 (0.82) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7282972 0.83 ITGB3 (0.86) ITGB3ITGA2BF2PRSS1
SCHEMBL8382276 0.81 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL7284586 0.81 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL7292028 0.81 ITGB3 (0.82) ITGB3ITGA2BF2PLG
SCHEMBL7284349 0.81 ITGB3 (0.82) ITGB3ITGA2BF2PLG
SCHEMBL13933091 0.80 ITGB3 (0.83) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8383672 0.80 ITGB3 (0.80) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6538112-B2 Diagnosing a patient at risk to thrombocytopenia induced by administration of a GP IIb/llla receptor antagonist MERCK & CO., INC. 2003-03-25 US disclosed
US-20020009753-A1 Anticoagulant test BEDNAR BOHUMIL (US) 2002-01-24 US disclosed
US-6210904-B1 DIAGNOSING FOR RISK OF THROMOCYTOPENIA BY DETECTING ABSENCE OF ASSOCIATION OF MONOCLONAL ANTIBODY WITH GLYCOPROTEIN IIB/IIA RECEPTOR:GLYCOPROTEIN IIB/IIA RECEPTOR ANTAGONIST COMPLEX MERCK & CO., INC. 2001-04-03 US disclosed