SCHEMBL9253758

SCHEMBL9253758

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(N3CCC(CC(=O)O)CC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.47
ITGA2B P08514 20/20 0.47

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
SCHEMBL9251738 0.90 PADI4 (0.43) ITGB3ITGA2B
SCHEMBL9251783 0.87 TMPRSS15 (0.45) ITGB3ITGA2B
SCHEMBL9252483 0.85 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL9251234 0.79 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9255246 0.79 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL8949403 0.76 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL9255901 0.75 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL9255399 0.73 SCN9A (0.42) ITGB3ITGA2B
SCHEMBL9254810 0.72 VCP (0.41) ITGB3ITGA2B
SCHEMBL8949282 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed