SCHEMBL7314664

SCHEMBL7314664

CCOC(=O)CC1(O)CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccs4)cc3)C(=O)O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
F10 P00742 3/20 0.45
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL7314800 0.89 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6602530 0.89 ITGB3 (0.60) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7308597 0.88 SIGMAR1 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6600105 0.88 ITGB3 (0.51) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7317117 0.87 ITGB3 (0.55) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7308804 0.86 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BF10PRSS1
SCHEMBL7313908 0.86 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7307512 0.86 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7307388 0.86 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948706 0.86 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BF10PRSS1

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-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed