SCHEMBL24651100

SCHEMBL24651100

CCOc1cccc2c1C(CCCC(=O)O)C(N)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR5 Q9H228 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
CD69 Q07108 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL24651101 0.93 L3MBTL1 (0.42) L3MBTL1GLACYP2C19S1PR5MEN1
SCHEMBL24651122 0.89 HTR1A (0.40) MTNR1AMTNR1B
SCHEMBL24651136 0.88 PPARG (0.38) L3MBTL1GLAMEN1KMT2ATDP1
SCHEMBL24650885 0.88 NAMPT (0.38) L3MBTL1MEN1KMT2ATDP1
SCHEMBL24650766 0.86 GLA (0.45) L3MBTL1GLACYP2C19MEN1KMT2A
SCHEMBL24650867 0.85 PTGFR (0.40) MTNR1AMTNR1B
SCHEMBL24650481 0.85 NAMPT (0.40) L3MBTL1TDP1ACHE
SCHEMBL24651134 0.83 S1PR5 (0.40) L3MBTL1GLACYP2C19S1PR5MEN1
SCHEMBL24650278 0.83 NOTUM (0.37) L3MBTL1GLAMEN1KMT2ATDP1
SCHEMBL24651116 0.83 GAA (0.37) GLACYP2C19MEN1KMT2AGAA

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-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed