SCHEMBL7239759

SCHEMBL7239759

CCCCS(=O)(=O)NC(Cc1ccc(OCC2CN(c3ccccc3CN)C(=O)O2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.56
ITGA2B P08514 11/20 0.56
ITGAV P06756 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.49
GRM2 Q14416 8/20 0.47
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7241085 0.94 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7240907 0.91 ITGB3 (0.51) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7240309 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7236747 0.84 GRM2 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3267022 0.83 ITGB3 (0.57) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7238569 0.82 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7238070 0.81 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7229085 0.81 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7228211 0.81 ITGB3 (0.54) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7228080 0.79 ITGB3 (0.51) 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 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