SCHEMBL7313638

SCHEMBL7313638

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

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.47
BCHE P06276 2/20 0.44
CHRM4 P08173 1/20 0.43

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
SCHEMBL7313953 0.94 ACHE (0.45) ACHEBCHECHRM4
SCHEMBL7304991 0.94 ACHE (0.47) ACHEBCHECHRM4
SCHEMBL7309154 0.92 ACHE (0.45) ACHEBCHECHRM4
SCHEMBL7308443 0.92 ACHE (0.46) ACHEBCHE
SCHEMBL7316859 0.90 ACHE (0.43) ACHEBCHE
SCHEMBL7303537 0.90 LTA4H (0.47) ACHEBCHE
SCHEMBL7303939 0.89 SMN1; SMN2 (0.44)
SCHEMBL7315052 0.87 ALDH1A1 (0.44) CHRM4
SCHEMBL7309302 0.87 ALDH1A1 (0.44) CHRM4
SCHEMBL7314739 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