SCHEMBL29772091

SCHEMBL29772091

CCOC(=O)CN1CCN(CCC2CCN(c3ccc(N)cc3F)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
HTR4 Q13639 2/20 0.39
ACHE P22303 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29772064 0.94 HTR4 (0.42) L3MBTL1MAPTGAAHTR4ACHE
SCHEMBL29772099 0.91 L3MBTL1 (0.41) L3MBTL1MAPTGAAHTR4ACHE
SCHEMBL29772135 0.90 L3MBTL1 (0.42) L3MBTL1MAPTGAAHTR4ACHE
SCHEMBL10036404 0.88 L3MBTL1 (0.51) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL29772039 0.85 ALDH1A1 (0.54) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL29772086 0.85 HCRTR2 (0.41) L3MBTL1MAPTGAAHTR4GSK3B
SCHEMBL29772149 0.80 ALDH1A1 (0.52) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL31334279 0.79 CHRM4 (0.42) MAPTGAAHTR4ACHEDRD2
SCHEMBL31712335 0.78 DRD2 (0.54) HTR1ADRD2HTR2ADRD3
SCHEMBL15764136 0.76 L3MBTL1 (0.53) L3MBTL1MAPTMEN1KMT2AHPGD

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
CN-114853846-A Androgen receptor degradation agent and application thereof 苏州国匡医药科技有限公司 2022-08-05 CN disclosed