SCHEMBL22147474

SCHEMBL22147474

CN[C@@H](CC1CCN(C)CC1)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM3 P20309 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2R P25116 1/20 0.31
ACHE P22303 1/20 0.30
MAPT P10636 1/20 0.30
HTR4 Q13639 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
SCHEMBL8291760 0.85 GRN (0.36) CTSLCTSSTDP1
SCHEMBL14942946 0.85 GRN (0.36) CTSLCTSSTDP1
SCHEMBL24233279 0.85 GRN (0.36) CTSLCTSSTDP1
SCHEMBL20342111 0.82 CTSK (0.41) CTSLCTSS
SCHEMBL12220087 0.82 CTSK (0.41) CTSLCTSS
SCHEMBL12220084 0.82 CTSK (0.37) CTSLCTSS
SCHEMBL13909105 0.82 CTSK (0.41) CTSLCTSS
SCHEMBL13127846 0.82 CTSK (0.37) CTSLCTSS
SCHEMBL14898377 0.82 CTSK (0.37) CTSLCTSS
SCHEMBL8310083 0.80 CTSK (0.43) CTSLCTSS

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
WO-2020131283-A1 ANALOGS THAT TARGET MITOCHONDRIAL DISEASES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 WO disclosed