SCHEMBL7228244

SCHEMBL7228244

COC(=O)C(Cc1ccc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)cc1)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.50
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADAM17 P78536 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL7237655 0.91 GRM2 (0.55) GRM2MMP2MMP9TDP1ADAM17
SCHEMBL7229200 0.89 ITGB3 (0.50) GRM2TDP1
SCHEMBL7227808 0.85 GRM2 (0.49) GRM2
SCHEMBL7228277 0.84 GRM2 (0.47) GRM2
SCHEMBL7236196 0.83 ITGB3 (0.57) GRM2MMP9TDP1
SCHEMBL7984346 0.81 TDP1 (0.56) MMP2MMP9TDP1ADAMTS4MMP13
SCHEMBL7229264 0.81 GRM2 (0.47) GRM2
SCHEMBL7236706 0.78 GRM2 (0.46) GRM2MMP2MMP9ADAMTS4MMP13
SCHEMBL7230540 0.77 ITGB3 (0.52) GRM2TDP1
SCHEMBL8139593 0.77 GRM2 (0.57) GRM2

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 4 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
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