SCHEMBL7308778

SCHEMBL7308778

CC1C(N2CCN(CCCC(=O)O)CC2)OC(=O)N1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
ACHE P22303 5/20 0.41
BCHE P06276 2/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CACNA1G O43497 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
SCHEMBL7316550 0.94 ACHE (0.42) LTA4HACHEBCHE
SCHEMBL7303537 0.92 LTA4H (0.47) LTA4HACHEBCHE
SCHEMBL7307268 0.91 LMNA (0.40) ACHEBCHECACNA1G
SCHEMBL7307208 0.91 LTA4H (0.49) LTA4HACHEBCHE
SCHEMBL7312963 0.90 LTA4H (0.48) LTA4HACHEBCHE
SCHEMBL7314570 0.90 CACNA1G (0.43) CACNA1G
SCHEMBL7311883 0.90 HTR7 (0.43) CACNA1G
SCHEMBL7309384 0.90 CHRM2 (0.43) CACNA1G
SCHEMBL7316859 0.89 ACHE (0.43) ACHEBCHE
SCHEMBL7309485 0.88 ALDH1A1 (0.41) ACHEBCHE

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