SCHEMBL8545210

SCHEMBL8545210

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.55
ITGB3 P05106 9/20 0.47
PRSS1 P07477 9/20 0.47
PRSS2 P07478 9/20 0.47
ITGA2B P08514 9/20 0.47
PRSS3 P35030 9/20 0.47
F10 P00742 6/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL8547336 0.92 GRM2 (0.51) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8547898 0.88 GRM2 (0.53) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8549450 0.88 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8543589 0.87 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7227607 0.85 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7228288 0.85 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7386950 0.84 GRM2 (0.63) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8548582 0.84 GRM2 (0.50) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8548145 0.84 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8151677 0.84 GRM2 (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 2 patents. 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 disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed