SCHEMBL7311554

SCHEMBL7311554

CCOC(=O)CC(C(=O)OCC)N1CCN(CC2CN(CCCCC3CCN(Cc4ccccc4)CC3)C(=O)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.41
BCHE P06276 7/20 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
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7309081 0.98 ACHE (0.42) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7307194 0.95 ACHE (0.42) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL8858106 0.94 MAOA (0.38) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7315394 0.92 HTR2B (0.41) HTR2BALDH1A1
SCHEMBL8858168 0.92 MAOA (0.38) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7314824 0.91 LMNA (0.42) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7307507 0.91 HTR2B (0.41) HTR2BALDH1A1
SCHEMBL7308947 0.89 HTR2B (0.42) HTR2BALDH1A1
SCHEMBL8858108 0.89 ACHE (0.39) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL8858076 0.86 MAPK1 (0.38) HTR2BALDH1A1

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