SCHEMBL6600545

SCHEMBL6600545

COC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NS(C)(=O)=O)cc3)C(=O)O2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
SIGMAR1 Q99720 17/20 0.46
GRM2 Q14416 1/20 0.44

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
SCHEMBL7640332 0.94 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600709 0.91 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600810 0.91 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6606673 0.89 ITGB3 (0.56) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601756 0.88 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602820 0.88 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639810 0.86 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600806 0.86 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639710 0.86 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7307543 0.85 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2

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
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed