SCHEMBL6600546

SCHEMBL6600546

CC(C)(C)c1cccc(C(=O)NC(=N)c2ccc(N3CC(COS(C)(=O)=O)OC3=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.49
F10 P00742 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ITGB3 P05106 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
ITGA2B P08514 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6603720 0.93 GRM2 (0.49) GRM2F10
SCHEMBL6601309 0.93 GRM2 (0.49) GRM2F10
SCHEMBL6604063 0.92 GRM2 (0.49) GRM2F10MAOAMAOBITGB3
SCHEMBL6603571 0.89 GRM2 (0.47) GRM2F10MAOAMAOBITGB3
SCHEMBL6605363 0.88 F10 (0.50) GRM2F10ITGB3ITGA2B
SCHEMBL6601234 0.88 GRM2 (0.49) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6600786 0.88 GRM2 (0.40) GRM2F10MAOBITGB3PRSS1
SCHEMBL6600718 0.88 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6600722 0.88 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601789 0.88 GRM2 (0.45) 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 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