SCHEMBL6601162

SCHEMBL6601162

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccccc4OC)cc3)C(=O)O2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43
SIGMAR1 Q99720 9/20 0.42
F10 P00742 5/20 0.40
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL6599723 0.93 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600033 0.93 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600527 0.93 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601692 0.92 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602207 0.90 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601862 0.90 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600406 0.90 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601618 0.90 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600851 0.89 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6603444 0.89 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3

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