SCHEMBL8948594

SCHEMBL8948594

CC(C)(C)OC(=O)C1CN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.41
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F10 P00742 1/20 0.36

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
SCHEMBL8948625 0.88 F10 (0.47) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8316409 0.86 SIGMAR1 (0.40) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8316389 0.86 SIGMAR1 (0.41) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8948804 0.83 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8316391 0.80 SIGMAR1 (0.42) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8314726 0.78 SIGMAR1 (0.44) SIGMAR1ITGB3ITGA2B
SCHEMBL8316121 0.78 ITGB3 (0.46) SIGMAR1ITGB3ITGA2BF10
SCHEMBL8313431 0.77 SIGMAR1 (0.47) SIGMAR1F10
SCHEMBL8948693 0.77 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2B
SCHEMBL27419425 0.76 ITGB3 (0.44) SIGMAR1ITGB3ITGA2BF10

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
CN-1052231-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2000-05-10 CN disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
CN-1097421-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1995-01-18 CN disclosed