SCHEMBL7308443

SCHEMBL7308443

CC1C(N2CCN(CCC(=O)O)CC2)OC(=O)N1CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.46
BCHE P06276 3/20 0.46
LTA4H P09960 3/20 0.46

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
SCHEMBL7303537 0.95 LTA4H (0.47) ACHEBCHELTA4H
SCHEMBL7309705 0.95 LTA4H (0.47) ACHEBCHELTA4H
SCHEMBL7304426 0.94 LTA4H (0.47) ACHEBCHELTA4H
SCHEMBL7313638 0.92 ACHE (0.47) ACHEBCHE
SCHEMBL7316550 0.92 ACHE (0.42) ACHEBCHELTA4H
SCHEMBL7314739 0.91 ACHE (0.43) ACHEBCHE
SCHEMBL7317129 0.90 KMT2A (0.45) ACHE
SCHEMBL7307208 0.90 LTA4H (0.49) ACHEBCHELTA4H
SCHEMBL7314468 0.90 ACHE (0.43) ACHEBCHE
SCHEMBL7312963 0.89 LTA4H (0.48) ACHEBCHELTA4H

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