SCHEMBL7281817

SCHEMBL7281817

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(=O)N3CCNCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
CHEK2 O96017 1/20 0.33

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
SCHEMBL7281127 0.92 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7273817 0.91 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7281698 0.90 ITGB3 (0.43) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7284350 0.90 ITGB3 (0.52) ITGB3ITGA2BCHEK2
SCHEMBL7285404 0.90 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7274168 0.90 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7282096 0.90 ITGB3 (0.52) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8882761 0.88 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7275114 0.87 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7272798 0.87 ITGB3 (0.49) 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
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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed