SCHEMBL6605350

SCHEMBL6605350

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.44
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 2/20 0.38
ITGB3 P05106 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
ITGA2B P08514 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL7639806 0.90 ITGB3 (0.47) GRM2ITGB3ITGA2B
SCHEMBL7638241 0.88 ITGB3 (0.44) GRM2MEN1ALDH1A1POLBMAPT
SCHEMBL7634237 0.88 ITGB3 (0.43) GRM2ITGB3ITGA2B
SCHEMBL6601409 0.88 GRM2 (0.48) GRM2
SCHEMBL6600722 0.87 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601789 0.87 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6600718 0.87 GRM2 (0.45) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL7634219 0.87 ITGB3 (0.47) MEN1KMT2AF10ITGB3PRSS1
SCHEMBL7640382 0.87 ITGB3 (0.46) GRM2F10ITGB3PRSS1PRSS2
SCHEMBL6601383 0.87 GRM2 (0.48) 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