SCHEMBL7228080

SCHEMBL7228080

CCCCS(=O)(=O)NC(Cc1ccc(OCC2CN(C3CCN(CC)CC3)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.51
ITGA2B P08514 15/20 0.51
ITGAV P06756 1/20 0.51
CHRM2 P08172 1/20 0.51
SLC6A4 P31645 1/20 0.51
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB3 P13945 1/20 0.38
GRM2 Q14416 1/20 0.38
CCR8 P51685 2/20 0.36

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
SCHEMBL7235820 0.94 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7236262 0.92 ITGB3 (0.51) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7230356 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8547886 0.85 ITGB3 (0.46) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7238620 0.81 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8547972 0.80 MAPK1 (0.39) MAPK1L3MBTL1ADRB3GRM2CCR8
SCHEMBL7232013 0.80 ITGB3 (0.40) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8543625 0.79 MAPK1 (0.36) MAPK1L3MBTL1ADRB3GRM2CCR8
SCHEMBL7239759 0.79 ITGB3 (0.56) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL10123879 0.78 ITGB3 (0.77) ITGB3ITGA2BITGAVCHRM2SLC6A4

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