SCHEMBL6601532

SCHEMBL6601532

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccc4ccccc34)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASR P41180 1/20 0.37
ITGB3 P05106 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
ITGA2B P08514 3/20 0.37
PRSS3 P35030 3/20 0.37
F10 P00742 3/20 0.37

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
SCHEMBL6600497 0.91 GRM2 (0.42) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7640121 0.90 ITGB3 (0.46) GRM2LMNAPOLBHPGDSMN1; SMN2
SCHEMBL6600696 0.89 GRM2 (0.40) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6606065 0.89 F10 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6603857 0.89 GRM2 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6600344 0.88 GRM2 (0.42) GRM2LMNAHPGDSMN1; SMN2ITGB3
SCHEMBL7640334 0.88 ITGB3 (0.52) GRM2LMNAPOLBHPGDSMN1; SMN2
SCHEMBL6600718 0.88 GRM2 (0.45) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6600722 0.88 GRM2 (0.45) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6601789 0.88 GRM2 (0.45) GRM2ITGB3PRSS1PRSS2ITGA2B

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