SCHEMBL6600337

SCHEMBL6600337

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)C(c4ccccc4)c4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
HTR2B P41595 5/20 0.42
SIGMAR1 Q99720 5/20 0.41
PRSS1 P07477 6/20 0.41
PRSS2 P07478 6/20 0.41
PRSS3 P35030 6/20 0.41
F10 P00742 5/20 0.40
GRM2 Q14416 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
SCHEMBL6602785 0.94 ITGB3 (0.49) ITGB3ITGA2BHTR2BSIGMAR1GRM2
SCHEMBL7639838 0.93 ITGB3 (0.46) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6606273 0.93 ITGB3 (0.45) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6605089 0.92 ITGB3 (0.46) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL7313128 0.91 HTR2B (0.45) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6601245 0.91 ITGB3 (0.45) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6601747 0.90 ITGB3 (0.51) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6601671 0.90 ITGB3 (0.51) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL6600847 0.90 ITGB3 (0.51) ITGB3ITGA2BHTR2BSIGMAR1PRSS1
SCHEMBL7309753 0.90 ITGB3 (0.47) ITGB3ITGA2BHTR2BSIGMAR1PRSS1

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