SCHEMBL21065406

SCHEMBL21065406

CN(CCC[C@@]1(c2cccc(Cl)c2)OCc2ccccc21)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.64
SLC6A9 P48067 3/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3407159 1.00 SLC6A4 (0.64) SLC6A4SLC6A9LMNAMAPK1
Hydrochloric Acid SCHEMBL6169692 0.99 SLC6A4 (0.62) SLC6A4SLC6A9LMNAMAPK1
SCHEMBL3402281 0.86 SLC6A4 (0.51) SLC6A4SLC6A9LMNAMAPK1
Hydrochloric Acid SCHEMBL6167694 0.85 SLC6A4 (0.50) SLC6A4SLC6A9LMNAMAPK1
SCHEMBL468540 0.84 SLC6A4 (0.50) SLC6A4SLC6A9LMNAMAPK1
SCHEMBL3404276 0.84 SLC6A4 (0.54) SLC6A4SLC6A9LMNAMAPK1
SCHEMBL3408141 0.83 SLC6A4 (0.57) SLC6A4LMNAMAPK1
SCHEMBL5995940 0.83 SLC6A4 (0.54) SLC6A4LMNAMAPK1
Hydrochloric Acid SCHEMBL6167023 0.83 SLC6A4 (0.49) SLC6A4SLC6A9LMNAMAPK1
Hydrochloric Acid SCHEMBL6167145 0.82 SLC6A4 (0.56) SLC6A4LMNAMAPK1

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