SCHEMBL7277614

SCHEMBL7277614

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)nn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.71
ITGA2B P08514 6/20 0.71
IRAK4 Q9NWZ3 12/20 0.34

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 SCHEMBL7275216 0.89 ITGB3 (0.56) ITGB3ITGA2BIRAK4
SCHEMBL7285640 0.88 ITGB3 (0.55) ITGB3ITGA2BIRAK4
Fradafiban SCHEMBL8863359 0.83 ITGB3 (1.00) ITGB3ITGA2B
Fradafiban SCHEMBL380350 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7277434 0.83 ITGB3 (0.80) ITGB3ITGA2BIRAK4
SCHEMBL7284309 0.83 ITGB3 (0.71) ITGB3ITGA2BIRAK4
Fradafiban SCHEMBL7280818 0.82 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7275443 0.82 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7277355 0.80 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL7275588 0.78 ITGB3 (0.81) ITGB3ITGA2BIRAK4

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
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed