SCHEMBL22294124

SCHEMBL22294124

CC(C)(N)N1CCSCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.30

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
SCHEMBL31314861 0.81
SCHEMBL278444 0.79 ALDH1A1 (0.33) GAA
SCHEMBL15483615 0.77 ALDH1A1 (0.32) GAA
SCHEMBL21469894 0.75
SCHEMBL3593852 0.75
SCHEMBL18754487 0.74
SCHEMBL13076967 0.74 FAAH (0.32)
SCHEMBL12359978 0.74
SCHEMBL21862375 0.73 GRIN2D (0.37)
SCHEMBL4702119 0.73 CYP2B6 (0.39)

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-3129392-B1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-08-05 EP disclosed