SCHEMBL7345393

SCHEMBL7345393

CCOC(=O)[C@H](Cc1cccnc1)NC(=O)CN1CCCC(CCc2ccncc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGA2B P08514 4/20 0.46
ITGAV P06756 4/20 0.44
TP53 P04637 1/20 0.40
NLRP3 Q96P20 2/20 0.40
POLB P06746 1/20 0.38
ACE P12821 3/20 0.37
FKBP1A P62942 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 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
SCHEMBL7342847 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAVNLRP3ACE
SCHEMBL7365263 0.87 ITGB3 (0.46) ITGB3ITGA2BTP53NLRP3POLB
SCHEMBL7342258 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVTP53ACE
SCHEMBL7369685 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVFKBP1A
Hydrochloric Acid SCHEMBL7370233 0.81 ITGB3 (0.47) ITGB3ITGA2BITGAVFKBP1A
SCHEMBL7341598 0.76 ITGB3 (0.43) ITGB3ITGA2BITGAVNLRP3POLB
SCHEMBL7342108 0.75 ITGB3 (0.51) ITGB3ITGA2BITGAVACE
SCHEMBL7345726 0.75 ITGB3 (0.51) ITGB3ITGA2BITGAVACE
SCHEMBL8830082 0.75 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7338126 0.74 ITGB3 (0.52) ITGB3ITGA2BITGAVACE

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