SCHEMBL31540195

SCHEMBL31540195

Oc1ccc(C2(c3ccc(OCC4CNC4)cc3)CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 2/20 0.38
GRM2 Q14416 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
PARP15 Q460N3 3/20 0.33
PARP10 Q53GL7 3/20 0.33
PARP2 Q9UGN5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL31540184 0.78 GRM2 (0.37) ESR1ESR2GRM2HRH3ALOX5
SCHEMBL3272079 0.77 SLC6A2 (0.41) GRM2HRH3SLC6A2SLC6A4TDP1
SCHEMBL31540183 0.75 ESR2 (0.64) ESR1ESR2SLC6A2SLC6A4TDP1
SCHEMBL3274822 0.75 SLC6A4 (0.41) GRM2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3276033 0.74 SLC6A2 (0.42) GRM2HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL13097010 0.73 PARP15 (0.47) TDP1PARP15PARP10PARP2
SCHEMBL13107024 0.71 MAP2K1 (0.53) SLC6A2SLC6A4TDP1SLC6A3PARP15
SCHEMBL21051452 0.69 PARP15 (0.42) SLC6A2TDP1SLC6A3SLC5A1SLC5A2
SCHEMBL1257287 0.69 ESR2 (0.55) ESR1ESR2TDP1ALDH1A1LMNA
SCHEMBL31540205 0.68 ESR2 (0.40) ESR1ESR2HRH3MMP1MMP2

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-119684303-A Heterocyclic compound of difunctional degradable androgen receptor and application thereof 上海超阳药业有限公司 2025-03-25 CN disclosed