SCHEMBL7307552

SCHEMBL7307552

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(CCN3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
HTR2B P41595 2/20 0.31

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
SCHEMBL7308042 0.96 ITGB3 (0.34) ITGB3ITGA2BHTR2B
SCHEMBL7308612 0.96 ITGB3 (0.34) ITGB3ITGA2BHTR2B
SCHEMBL7315730 0.92 ITGB3 (0.33) ITGB3ITGA2BHTR2B
SCHEMBL7303222 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL7307998 0.89 HTR2B (0.36) HTR2B
SCHEMBL7313518 0.87 HTR2B (0.38) ITGB3ITGA2BHTR2B
SCHEMBL7315964 0.86 ITGB3 (0.40) ITGB3ITGA2BHTR2B
SCHEMBL7313564 0.83 ITGB3 (0.39) ITGB3ITGA2BHTR2B
SCHEMBL7309169 0.83 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL7315937 0.82 ITGB3 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed