SCHEMBL6605686

SCHEMBL6605686

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
F10 P00742 5/20 0.41
PRSS1 P07477 6/20 0.41
PRSS2 P07478 6/20 0.41
PRSS3 P35030 6/20 0.41
SIGMAR1 Q99720 10/20 0.41
HTR1A P08908 1/20 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
SCHEMBL6601178 0.94 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1
SCHEMBL7633368 0.93 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6603912 0.93 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6604884 0.92 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601747 0.92 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6601671 0.92 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6600847 0.92 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6602882 0.91 ITGB3 (0.42) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7314863 0.91 SIGMAR1 (0.42) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7307280 0.90 ITGB3 (0.44) ITGB3ITGA2BF10PRSS1PRSS2

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