SCHEMBL7314824

SCHEMBL7314824

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(CC3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HTR2B P41595 6/20 0.41
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL8858154 0.93 LMNA (0.38) LMNAHTR2BBCHEACHECACNA1F
SCHEMBL7307194 0.93 ACHE (0.42) LMNAHTR2BBCHEACHECACNA1F
SCHEMBL7304939 0.92 HTR2B (0.42) HTR2BBCHEACHECACNA1FCACNA1D
SCHEMBL7309081 0.92 ACHE (0.42) LMNAHTR2BBCHEACHECACNA1F
SCHEMBL7311554 0.91 ACHE (0.41) LMNAHTR2BBCHEACHECACNA1F
SCHEMBL7308947 0.90 HTR2B (0.42) HTR2BALDH1A1SIGMAR1ITGB3ITGA2B
SCHEMBL7307507 0.89 HTR2B (0.41) HTR2BALDH1A1SIGMAR1ITGB3ITGA2B
SCHEMBL7315394 0.89 HTR2B (0.41) HTR2BALDH1A1SIGMAR1ITGB3ITGA2B
SCHEMBL7308256 0.88 ITGB3 (0.38) LMNAHTR2BITGB3ITGA2B
SCHEMBL8858108 0.87 ACHE (0.39) LMNAHTR2BBCHEACHECACNA1F

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
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed