SCHEMBL6606831

SCHEMBL6606831

CC(C)OC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
SIGMAR1 Q99720 11/20 0.43
PRSS1 P07477 5/20 0.40
PRSS2 P07478 5/20 0.40
PRSS3 P35030 5/20 0.40
F10 P00742 3/20 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
SCHEMBL6602430 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600250 0.92 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6603919 0.92 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1F10
SCHEMBL6602223 0.92 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1F10
SCHEMBL6600922 0.91 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602058 0.91 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6605091 0.90 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6606034 0.90 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6603444 0.90 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601675 0.90 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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