SCHEMBL6601596

SCHEMBL6601596

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.42
F10 P00742 3/20 0.39
ITGB3 P05106 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
ITGA2B P08514 3/20 0.39
PRSS3 P35030 3/20 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
SCHEMBL6601603 1.00 GRM2 (0.42) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7639801 0.90 ITGB3 (0.48) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7634297 0.90 ITGB3 (0.48) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7637785 0.89 ITGB3 (0.41) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7639673 0.89 ITGB3 (0.42) GRM2ITGB3ITGA2B
SCHEMBL7632999 0.89 ITGB3 (0.54) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601409 0.89 GRM2 (0.48) GRM2
SCHEMBL6601383 0.88 GRM2 (0.48) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7640069 0.88 ITGB3 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7641745 0.87 ITGB3 (0.40) GRM2F10ITGB3PRSS1PRSS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
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