SCHEMBL24650925

SCHEMBL24650925

CCOc1ccc2c(c1)C(CC(=O)OC)C(N)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 4/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
PARP10 Q53GL7 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL24650880 0.90 PPARD (0.43) NQO2MTNR1AMTNR1BPPARDKDM4E
SCHEMBL24650883 0.90 NQO2 (0.40) NQO2MTNR1AMTNR1BPPARDKDM4E
SCHEMBL24650924 0.89 MTNR1A (0.44) NQO2MTNR1AMTNR1B
SCHEMBL24650272 0.88 MTNR1A (0.43) NQO2MTNR1AMTNR1BPPARDHTT
SCHEMBL24651113 0.86 MTNR1A (0.42) NQO2MTNR1AMTNR1BPPARDHTT
SCHEMBL24650889 0.83 KMT2A (0.43) NQO2MTNR1AMTNR1BKDM4E
SCHEMBL24650903 0.82 MIF (0.40) NQO2MTNR1AMTNR1B
SCHEMBL24650264 0.81 BRD4 (0.43) NQO2MTNR1AMTNR1BPPARDKDM4E
SCHEMBL24650515 0.81 NQO2 (0.41) NQO2MTNR1AMTNR1BPPARDKDM4E
SCHEMBL24651106 0.81 NQO2 (0.42) NQO2MTNR1AMTNR1BPPARDKDM4E

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