SCHEMBL7365261

SCHEMBL7365261

CCOC(=O)[C@H](CNC(=O)CC1CCCN(CCc2ccncc2)C1=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGA2B P08514 3/20 0.47
GAA P10253 1/20 0.37
FKBP1A P62942 1/20 0.37
ITGAV P06756 1/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A1 P43005 2/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.34
KCNA5 P22460 1/20 0.34
NAMPT P43490 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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 0.88 ITGB3 (0.47) ITGB3ITGA2BGAAFKBP1AITGAV
Hydrochloric Acid SCHEMBL7370233 0.87 ITGB3 (0.47) ITGB3ITGA2BGAAFKBP1AITGAV
SCHEMBL7365263 0.82 ITGB3 (0.46) ITGB3ITGA2BFKBP1AALDH1A1CYP1A2
SCHEMBL8620491 0.79 ITGB3 (0.35) ITGB3ITGA2BGAAFKBP1AKMT2A
SCHEMBL7448188 0.78 ITGB3 (0.46) ITGB3ITGA2BFKBP1AITGAVSLC1A2
SCHEMBL7338126 0.77 ITGB3 (0.52) ITGB3ITGA2BITGAVSLC1A2KCNA5
Hydrochloric Acid SCHEMBL7338692 0.76 ITGB3 (0.51) ITGB3ITGA2BITGAVSLC1A2KCNA5
Hydrochloric Acid SCHEMBL7348254 0.75 GAA (0.35) GAAOPRM1KCNA5NAMPTKMT2A
SCHEMBL7342690 0.74 ITGB3 (0.55) ITGB3ITGA2BITGAVALDH1A1HSD17B10
SCHEMBL8617240 0.74 ITGB3 (0.39) ITGB3ITGA2BFKBP1AITGAVSLC1A2

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