SCHEMBL23501044

SCHEMBL23501044

COc1ccc(CN2CCC(CO)C2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIGMAR1 Q99720 2/20 0.54
ALDH1A1 P00352 4/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
ACHE P22303 2/20 0.52
BACE1 P56817 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BCHE P06276 1/20 0.49

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
SCHEMBL8329181 0.92 MAPT (0.67) MAPTLMNAL3MBTL1ALDH1A1POLB
SCHEMBL9739025 0.87 HTR1A (0.56) MAPTSIGMAR1
SCHEMBL23501067 0.85 MEN1 (0.58) MAPTSIGMAR1ALDH1A1POLBACHE
SCHEMBL23501029 0.82 SIGMAR1 (0.57) MAPTSIGMAR1ACHEBACE1KDM4E
SCHEMBL7815093 0.80 MAPT (0.58) MAPTSIGMAR1ALDH1A1POLBGAA
SCHEMBL11075907 0.80 MAPT (0.58) MAPTSIGMAR1ALDH1A1POLBGAA
SCHEMBL11076598 0.80 MAPT (0.58) MAPTSIGMAR1ALDH1A1POLBGAA
SCHEMBL7292460 0.80 BCHE (0.56) LMNAL3MBTL1SIGMAR1ALDH1A1ACHE
SCHEMBL8326524 0.79 ALDH1A1 (0.59) MAPTLMNASIGMAR1ALDH1A1POLB
SCHEMBL8323528 0.79 ALDH1A1 (0.59) MAPTLMNASIGMAR1ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021115413-A1 NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed
WO-2021115413-A1 NEUROMUSCULAR-BLOCKING DRUG AND PREPARATION METHOD THEREFOR 江苏恒瑞医药股份有限公司 2021-06-17 WO disclosed