SCHEMBL6603720

SCHEMBL6603720

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccc(C(F)(F)F)c3)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.49
F10 P00742 1/20 0.38
CCR2 P41597 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL6601309 1.00 GRM2 (0.49) GRM2F10CCR2NPSR1TAS1R3
SCHEMBL6600546 0.93 GRM2 (0.49) GRM2F10
SCHEMBL6601855 0.92 GRM2 (0.48) GRM2F10
SCHEMBL6600786 0.89 GRM2 (0.40) GRM2F10
SCHEMBL6603571 0.88 GRM2 (0.47) GRM2F10
SCHEMBL6601234 0.88 GRM2 (0.49) GRM2F10
SCHEMBL6605363 0.88 F10 (0.50) GRM2F10
SCHEMBL6600722 0.87 GRM2 (0.45) GRM2F10
SCHEMBL6600718 0.87 GRM2 (0.45) GRM2F10
SCHEMBL6601789 0.87 GRM2 (0.45) GRM2F10

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