SCHEMBL7240309

SCHEMBL7240309

CCCCS(=O)(=O)NC(Cc1ccc(OCC2CN(c3ccccc3CNC(=N)N)C(=O)O2)cc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 9/20 0.44
GRM2 Q14416 8/20 0.40
ITGAV P06756 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL7240907 0.94 ITGB3 (0.51) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7241085 0.91 ITGB3 (0.48) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7236747 0.85 GRM2 (0.49) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7239759 0.85 ITGB3 (0.56) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7236076 0.84 ITGB3 (0.50) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7234939 0.83 ITGB3 (0.46) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7235654 0.80 GRM2 (0.46) ITGB3ITGA2BGRM2
SCHEMBL7227808 0.80 GRM2 (0.49) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL7235026 0.79 GRM2 (0.55) ITGB3ITGA2BGRM2ITGAVCHRM2
SCHEMBL3267022 0.78 ITGB3 (0.57) ITGB3ITGA2BGRM2ITGAVCHRM2

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
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed