SCHEMBL7236196

SCHEMBL7236196

Cc1ccc(S(=O)(=O)NC(Cc2ccc(OCC3CN(c4ccc(C(=N)N)cc4)C(=O)O3)cc2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.57
ITGA2B P08514 10/20 0.57
GRM2 Q14416 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
PLAU P00749 2/20 0.44
HPN P05981 2/20 0.44
F10 P00742 4/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
F2 P00734 1/20 0.44
MMP9 P14780 2/20 0.44

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
SCHEMBL7229200 0.94 ITGB3 (0.50) ITGB3ITGA2BGRM2TDP1PLAU
SCHEMBL7230540 0.91 ITGB3 (0.52) ITGB3ITGA2BGRM2TDP1PLAU
SCHEMBL3266803 0.88 GRM2 (0.52) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL3267949 0.86 ITGB3 (0.51) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL7228277 0.86 GRM2 (0.47) ITGB3ITGA2BGRM2PLAUHPN
SCHEMBL7229618 0.85 GRM2 (0.50) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL7227714 0.85 GRM2 (0.51) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL7239380 0.85 GRM2 (0.53) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL7237867 0.85 GRM2 (0.51) ITGB3ITGA2BGRM2F10PRSS1
SCHEMBL7238300 0.85 GRM2 (0.51) ITGB3ITGA2BGRM2PLAUHPN

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