SCHEMBL24650264

SCHEMBL24650264

CCOC(=O)CCC1c2cc(OCC)ccc2CC1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
PPARD Q03181 1/20 0.35
PDK2 Q15119 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 1/20 0.34
F10 P00742 1/20 0.33

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
SCHEMBL24650866 0.93 BRD4 (0.47) BRD4NQO2MTNR1AMTNR1BL3MBTL1
SCHEMBL24650483 0.92 BRD4 (0.46) BRD4NQO2MTNR1AMTNR1BL3MBTL1
SCHEMBL24650266 0.91 MTNR1A (0.41) NQO2MTNR1AMTNR1B
SCHEMBL24650272 0.91 MTNR1A (0.43) NQO2MTNR1AMTNR1BPPARDHSD17B10
SCHEMBL24650273 0.91 BRD4 (0.41) BRD4NQO2MTNR1AMTNR1BL3MBTL1
SCHEMBL24650883 0.88 NQO2 (0.40) BRD4NQO2MTNR1AMTNR1BPPARD
SCHEMBL24651106 0.88 NQO2 (0.42) NQO2MTNR1AMTNR1BL3MBTL1PPARD
SCHEMBL24651113 0.84 MTNR1A (0.42) BRD4NQO2MTNR1AMTNR1BPPARD
SCHEMBL24650888 0.84 BRD4 (0.44) BRD4NQO2MTNR1AMTNR1BL3MBTL1
SCHEMBL24651124 0.84 PPARD (0.42) NQO2MTNR1AMTNR1BL3MBTL1PPARD

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