SCHEMBL7307345

SCHEMBL7307345

CCOC(=O)CC1(C(=O)OCC)CCN(CC2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
F10 P00742 1/20 0.47
SIGMAR1 Q99720 15/20 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
SCHEMBL7314436 0.81 ITGB3 (0.48) ITGB3ITGA2BF10SIGMAR1
SCHEMBL7301484 0.81 ITGB3 (0.56) ITGB3ITGA2BF10SIGMAR1
SCHEMBL8858130 0.77 ITGB3 (0.45) ITGB3ITGA2BF10SIGMAR1
SCHEMBL7307351 0.76 ITGB3 (0.45) ITGB3ITGA2BF10SIGMAR1
SCHEMBL8858128 0.73 ITGB3 (0.46) ITGB3ITGA2BF10SIGMAR1
SCHEMBL6606264 0.73 ITGB3 (0.58) ITGB3ITGA2BF10
SCHEMBL8892671 0.71 ITGB3 (0.49) ITGB3ITGA2BF10
SCHEMBL8948642 0.71 SIGMAR1 (0.52) ITGB3ITGA2BSIGMAR1
SCHEMBL8948629 0.71 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1
SCHEMBL8948731 0.71 ITGB3 (0.58) ITGB3ITGA2BF10SIGMAR1

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