SCHEMBL10654136

SCHEMBL10654136

C[CH]c1c(C)n(CCCC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.53
RORA P35398 2/20 0.53
RORC P51449 2/20 0.53
RORB Q92753 2/20 0.53
CNR2 P34972 10/20 0.50
CNR1 P21554 4/20 0.50
ABCC2 Q92887 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL9185016 0.81 MEN1 (0.60) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL21913492 0.78 MEN1 (0.47) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL10654147 0.78 PGR (0.55) PGRRORARORCRORBCNR2
SCHEMBL29531665 0.77 PGR (0.73) PGRRORARORCRORBCNR2
SCHEMBL1335135 0.77 PGR (0.73) PGRRORARORCRORBCNR2
SCHEMBL9657145 0.76 PGR (0.54) PGRRORARORCRORBCNR2
SCHEMBL13293650 0.76 MEN1 (0.66) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6013329 0.76 KDM4E (0.59) PGRRORARORCRORBCNR2
SCHEMBL27799854 0.75 ALDH1A1 (0.55) PGRRORARORCRORBCNR2
SCHEMBL27799843 0.75 PGR (0.52) PGRRORARORCRORBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87103087-A As diethylenediamine compound of platelet activation factor-antagonist and preparation method thereof 1987-11-04 CN claimed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP claimed
EP-0243122-A3 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-07-13 EP disclosed
CN-87103087-A As diethylenediamine compound of platelet activation factor-antagonist and preparation method thereof 1987-11-04 CN disclosed
EP-0243122-A2 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed