SCHEMBL7316449

SCHEMBL7316449

COC(=O)CCCN1CCN(C2OC(=O)N(CCCCC3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
BCHE P06276 3/20 0.41
FAAH O00519 1/20 0.40
ALOX5 P09917 1/20 0.40
LTA4H P09960 2/20 0.40
CHRM4 P08173 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL7308900 0.98 ACHE (0.42) ACHEBCHEFAAHALOX5LTA4H
SCHEMBL7304824 0.96 ACHE (0.43) ACHEBCHEFAAHALOX5LTA4H
SCHEMBL7303592 0.95 ACHE (0.42) ACHEBCHECHRM4DRD2DRD4
SCHEMBL7311514 0.94 ACHE (0.42) ACHEBCHEFAAHALOX5LTA4H
SCHEMBL7310167 0.93 CACNA1G (0.42)
SCHEMBL7305852 0.93 ACHE (0.45) ACHEBCHEALOX5CHRM4
SCHEMBL7312963 0.92 LTA4H (0.48) ACHEBCHEFAAHLTA4H
SCHEMBL7314334 0.92 CACNA1G (0.42) CHRM4DRD2DRD4
SCHEMBL7307268 0.91 LMNA (0.40) ACHEBCHEDRD2DRD4
SCHEMBL7317984 0.90 ACHE (0.43) ACHEBCHEALOX5CHRM4

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