SCHEMBL7313262

SCHEMBL7313262

CC1C(N2CCN(CCC(=O)OCc3ccccc3)CC2)OC(=O)N1CCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.42
BCHE P06276 6/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
FAAH O00519 1/20 0.40
LTA4H P09960 2/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL7308047 0.98 ACHE (0.42) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7314468 0.95 ACHE (0.43) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7311514 0.92 ACHE (0.42) ACHEBCHEFAAHLTA4HCHRM4
SCHEMBL7309506 0.91 ACHE (0.41) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7309705 0.90 LTA4H (0.47) ACHEBCHEFAAHLTA4HCHRM4
SCHEMBL7304824 0.89 ACHE (0.43) ACHEBCHEFAAHLTA4HCHRM4
SCHEMBL7308900 0.88 ACHE (0.42) ACHEBCHEFAAHLTA4HCHRM4
SCHEMBL7307208 0.88 LTA4H (0.49) ACHEBCHEFAAHLTA4H
SCHEMBL7304426 0.88 LTA4H (0.47) ACHEBCHEFAAHLTA4HCHRM4
SCHEMBL7317984 0.87 ACHE (0.43) ACHEBCHECHRM4

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed