SCHEMBL8618344

SCHEMBL8618344

CC(=O)N(CC(C(=O)OCOC(=O)C(C)(C)C)c1cccnc1)N1CCC[C@H](CCc2ccncc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.35
ITGAV P06756 4/20 0.35
ITGA2B P08514 3/20 0.34
FKBP1A P62942 4/20 0.33
ENO1 P06733 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
KCNH2 Q12809 1/20 0.31
MTOR P42345 1/20 0.30
FKBP4 Q02790 1/20 0.30
FKBP5 Q13451 1/20 0.30
CHRM3 P20309 2/20 0.30

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
SCHEMBL8621139 0.90 ITGB3 (0.37) ITGB3ITGAVITGA2BSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL8619234 0.89 ITGB3 (0.36) ITGB3ITGAVITGA2BSLC1A3SLC1A2
SCHEMBL8622174 0.86 ENO1 (0.33) ENO1CHRM3
Hydrochloric Acid SCHEMBL8621091 0.85 ITGB3 (0.34) ITGB3ITGAVITGA2BFKBP1ASLC1A3
SCHEMBL7448188 0.81 ITGB3 (0.46) ITGB3ITGAVITGA2BFKBP1AENO1
SCHEMBL8620398 0.75 MC4R (0.33)
SCHEMBL8103481 0.74 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL8617240 0.74 ITGB3 (0.39) ITGB3ITGAVITGA2BFKBP1ASLC1A3
SCHEMBL8619349 0.74 ACE2 (0.36) FKBP1A
SCHEMBL7342847 0.72 ITGB3 (0.44) ITGB3ITGAVITGA2BFKBP1AENO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed