SCHEMBL8548345

SCHEMBL8548345

CCCCS(=O)(=O)C(N)(Cc1ccc(OCC2CN(c3ccc(C(=N)N)cc3)C(=O)O2)cc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.45
ITGB3 P05106 9/20 0.43
PRSS1 P07477 9/20 0.43
PRSS2 P07478 9/20 0.43
ITGA2B P08514 9/20 0.43
PRSS3 P35030 9/20 0.43
F10 P00742 6/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL8548145 0.93 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7228212 0.90 GRM2 (0.47) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7227607 0.88 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8547336 0.84 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8548582 0.84 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8549715 0.83 GRM2 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8548600 0.82 GRM2 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7229075 0.81 GRM2 (0.47) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7236076 0.80 ITGB3 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL3267022 0.80 ITGB3 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP claimed