SCHEMBL21065408

SCHEMBL21065408

COc1ccc(-c2ccc3c(c2)COC3(CCN(C)CC(=O)O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
ACHE P22303 1/20 0.44
SLC6A9 P48067 2/20 0.42
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
UTS2R Q9UKP6 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
SCHEMBL3399464 0.95 SLC6A4 (0.50) SLC6A4ACHELMNAMAPK1
SCHEMBL30130487 0.95 SLC6A4 (0.50) SLC6A4ACHELMNAMAPK1
SCHEMBL20814673 0.90 SLC6A4 (0.47) SLC6A4ACHESLC6A9LMNAMAPK1
SCHEMBL20814664 0.88 SLC6A4 (0.47) SLC6A4ACHESLC6A9LMNAMAPK1
SCHEMBL3408176 0.88 SLC6A4 (0.56) SLC6A4ACHELMNAMAPK1
SCHEMBL30130509 0.88 SLC6A4 (0.56) SLC6A4ACHELMNAMAPK1
SCHEMBL21065413 0.87 SLC6A4 (0.47) SLC6A4ACHELMNAMAPK1
SCHEMBL468495 0.84 SLC6A4 (0.52) SLC6A4ACHELMNAMAPK1
SCHEMBL20814665 0.84 SLC6A9 (0.45) SLC6A4ACHESLC6A9LMNAMAPK1
SCHEMBL3407361 0.83 ACHE (0.43) SLC6A4ACHELMNAMAPK1

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-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP disclosed