SCHEMBL24650435

SCHEMBL24650435

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
NQO2 P16083 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 1/20 0.36
ACHE P22303 2/20 0.35
BRD4 O60885 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL24651052 0.93 BRD4 (0.41) HTTMTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL24650326 0.92 BRD4 (0.44) MTNR1AMTNR1BNQO2L3MBTL1PPARD
SCHEMBL24650433 0.91 PPARD (0.41) HTTMTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL24650426 0.90 PPARD (0.42) HTTMTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL24650515 0.90 NQO2 (0.41) HTTMTNR1AMTNR1BNQO2L3MBTL1
SCHEMBL24650431 0.90 MTNR1A (0.42) MTNR1AMTNR1BNQO2
SCHEMBL24650360 0.86 BRD4 (0.50) L3MBTL1PPARDBRD4
SCHEMBL24651040 0.85 FFAR4 (0.45) MTNR1AMTNR1BNQO2L3MBTL1PPARD
SCHEMBL24651046 0.84 PPARD (0.42) HTTL3MBTL1PPARDBRD4MAPT
SCHEMBL24650321 0.84 BRD4 (0.40) MTNR1AMTNR1BNQO2BRD4ALDH1A1

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