SCHEMBL6604843

SCHEMBL6604843

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccc(Cl)cc3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.48
GRM2 Q14416 3/20 0.45
ABCB11 O95342 1/20 0.42
ITGB3 P05106 5/20 0.41
PRSS1 P07477 5/20 0.41
PRSS2 P07478 5/20 0.41
ITGA2B P08514 5/20 0.41
PRSS3 P35030 5/20 0.41
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL6600718 0.92 GRM2 (0.45) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6600722 0.92 GRM2 (0.45) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6601789 0.92 GRM2 (0.45) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6600484 0.92 GRM2 (0.52) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6603425 0.92 GRM2 (0.46) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6601386 0.91 GRM2 (0.44) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6605363 0.90 F10 (0.50) F10GRM2ITGB3ITGA2B
SCHEMBL6601640 0.90 GRM2 (0.49) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6604063 0.90 GRM2 (0.49) F10GRM2ITGB3PRSS1PRSS2
SCHEMBL6601469 0.90 GRM2 (0.49) F10GRM2ITGB3PRSS1PRSS2

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