SCHEMBL7284962

SCHEMBL7284962

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)c(Br)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.74
ITGA2B P08514 4/20 0.74
F2 P00734 2/20 0.39
PLAU P00749 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
IRAK4 Q9NWZ3 9/20 0.35

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 SCHEMBL7272734 0.89 ITGB3 (0.58) ITGB3ITGA2BF2PLAUST14
SCHEMBL7301919 0.88 ITGB3 (0.72) ITGB3ITGA2BIRAK4
SCHEMBL7272822 0.87 ITGB3 (0.71) ITGB3ITGA2BF2IRAK4
Fradafiban SCHEMBL8863359 0.85 ITGB3 (1.00) ITGB3ITGA2BF2PLAUST14
Fradafiban SCHEMBL380350 0.85 ITGB3 (1.00) ITGB3ITGA2BF2PLAUST14
Fradafiban SCHEMBL7280818 0.84 ITGB3 (0.98) ITGB3ITGA2BF2PLAUST14
SCHEMBL7272827 0.82 ITGB3 (0.69) ITGB3ITGA2BF2IRAK4
Hydrochloric Acid SCHEMBL7273087 0.79 ITGB3 (0.59) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7284581 0.78 ITGB3 (0.58) ITGB3ITGA2BF2IRAK4
SCHEMBL7277614 0.77 ITGB3 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed