SCHEMBL7448188

SCHEMBL7448188

CC(C)(C)C(=O)OCOC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCc2ccncc2)C1=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 5/20 0.46
ITGAV P06756 5/20 0.42
ENO1 P06733 1/20 0.34
FKBP1A P62942 2/20 0.33
OPRM1 P35372 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL7369685 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVFKBP1AOPRM1
Hydrochloric Acid SCHEMBL7370233 0.89 ITGB3 (0.47) ITGB3ITGA2BITGAVFKBP1AOPRM1
SCHEMBL7338126 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVSLC1A2KCNA5
Hydrochloric Acid SCHEMBL7338692 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAVSLC1A2KCNA5
SCHEMBL7342847 0.83 ITGB3 (0.44) ITGB3ITGA2BITGAVENO1FKBP1A
SCHEMBL8618344 0.81 ITGB3 (0.35) ITGB3ITGA2BITGAVENO1FKBP1A
SCHEMBL8617240 0.80 ITGB3 (0.39) ITGB3ITGA2BITGAVFKBP1AOPRM1
SCHEMBL7365261 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAVFKBP1AOPRM1
SCHEMBL7345393 0.72 ITGB3 (0.46) ITGB3ITGA2BITGAVFKBP1A
SCHEMBL8621139 0.69 ITGB3 (0.37) ITGB3ITGA2BITGAVSLC1A3SLC1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed