SCHEMBL6600970

SCHEMBL6600970

COC(=O)NC(=N)c1ccc(N2CC(CN3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.57
ITGA2B P08514 5/20 0.57
SIGMAR1 Q99720 12/20 0.46
GRM2 Q14416 2/20 0.41
F10 P00742 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
F2 P00734 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
SCHEMBL6604918 0.96 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6602831 0.94 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6602801 0.94 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6605489 0.93 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL7632243 0.93 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6605994 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6601558 0.92 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6600730 0.91 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6601226 0.91 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2F10
SCHEMBL6600475 0.90 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1GRM2F10

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