SCHEMBL24956770

SCHEMBL24956770

COCN1CCN(C(=O)c2cccc(C)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.62
▸ GPR183 P32249 1/20 0.54
▸ LDHA P00338 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ GABRA4 P48169 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL12835048 0.86 LDHA (0.63) HPGDGPR183LDHAL3MBTL1HTT
SCHEMBL7130857 0.85 HPGD (0.83) HPGDGPR183L3MBTL1HTTGABRD
SCHEMBL14238822 0.85 HPGD (0.83) HPGDGPR183L3MBTL1HTTGABRD
SCHEMBL13246374 0.84 HPGD (0.68) HPGDLDHAL3MBTL1HTTGABRD
SCHEMBL12286133 0.82 HPGD (0.64) HPGDLDHAL3MBTL1HTTGABRD
SCHEMBL12630845 0.81 HPGD (0.62) HPGDGPR183LDHAL3MBTL1HTT
SCHEMBL8916079 0.80 TSHR (0.82) L3MBTL1HTTMEN1LMNAKMT2A
SCHEMBL12563716 0.79 HPGD (0.73) HPGDGPR183L3MBTL1HTTGABRD
SCHEMBL8360507 0.79 HPGD (0.73) HPGDL3MBTL1HTTGABRDGABRA1
SCHEMBL2667152 0.79 HPGD (0.90) HPGDL3MBTL1HTTGABRDGABRA1

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-2023001108-A1 PREPARATION OF HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都赜灵生物医药科技有限公司 2023-01-26 — — WO disclosed
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