SCHEMBL16723393

SCHEMBL16723393

CC(=O)N1C2CCC(C3CCC(N4CCOCC4)CC3)CC2N(C(=O)C2CCC2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADRA1A P35348 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16723391 0.83 CHRM1 (0.38) LMNAGAATSHRMAPTL3MBTL3
SCHEMBL16722934 0.81 GAA (0.40) GAATSHRMAPTMAPK1RECQL
SCHEMBL16723166 0.78 CHRNA7 (0.42) LMNAMAPTL3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL16723345 0.76 GAA (0.36) GAATSHRMAPTRECQL
SCHEMBL16723237 0.75 MAPT (0.40) GAATSHRMAPT
SCHEMBL16723321 0.73 GAA (0.33) GAATSHR
SCHEMBL16723295 0.73 GAA (0.37) GAATSHRMAPTRECQL
SCHEMBL16722992 0.72 MAPT (0.38) GAATSHRMAPT
SCHEMBL16723361 0.72 MAPT (0.37) GAATSHRMAPT
SCHEMBL16723246 0.70 TSHR (0.64) LMNAGAATSHRMAPTRECQL

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-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 — — WO disclosed
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