SCHEMBL7310384

SCHEMBL7310384

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(c3ccc(C4=NOC(C)N4)cc3)C(=O)O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SIGMAR1 Q99720 18/20 0.38

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
SCHEMBL7304068 0.95 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1
SCHEMBL7308092 0.94 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1
SCHEMBL7314483 0.92 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1
SCHEMBL7304501 0.89 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1
SCHEMBL7306839 0.87 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1
SCHEMBL7344174 0.87 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1
SCHEMBL7316965 0.86 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1
SCHEMBL7317424 0.85 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1
SCHEMBL8858197 0.84 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1
SCHEMBL7314935 0.84 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1

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
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed