SCHEMBL9115192

SCHEMBL9115192

C#CC(CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)COC2CCNCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.56
ITGA2B P08514 20/20 0.56
F2R P25116 10/20 0.56

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
Trifluoroacetic Acid SCHEMBL7501041 0.95 ITGB3 (0.53) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7505253 0.85 ITGB3 (0.46) ITGB3ITGA2BF2R
SCHEMBL7502258 0.83 ITGB3 (0.78) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7502178 0.82 ITGB3 (0.77) ITGB3ITGA2BF2R
SCHEMBL9115208 0.80 ITGB3 (0.53) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7506277 0.79 ITGB3 (0.72) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7498922 0.79 ITGB3 (0.72) ITGB3ITGA2BF2R
SCHEMBL9275396 0.79 ITGB3 (0.70) ITGB3ITGA2BF2R
SCHEMBL7443655 0.78 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7439973 0.78 ITGB3 (0.61) ITGB3ITGA2BF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO disclosed