SCHEMBL27477173

SCHEMBL27477173

O=COc1c(C2CC2)cn2cccc(OCc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 2/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
PLA2G1B P04054 2/20 0.34

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
SCHEMBL7012498 0.80 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8327321 0.76 PLA2G1B (0.43) HTR1ASLC6A2SLC6A4SLC6A3NPC1
SCHEMBL9080973 0.74 KMT2A (0.41) HTR1ASLC6A2SLC6A4SLC6A3NPC1
SCHEMBL7011291 0.70 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL13805728 0.69 MAPT (0.45) HTR1ACCNB2CDK1CDK4CCNB1
SCHEMBL12836290 0.69 HTR1A (0.79) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1572818 0.69 MAPK1 (0.46) HTR1AMAPTL3MBTL1MAPK14MEN1
SCHEMBL8322428 0.68 PLA2G1B (0.51) HTR1ACCNB2CDK1CDK4CCNB1
SCHEMBL183812 0.67 CCNB2 (0.57) HTR1ACCNB2CDK1CDK4CCNB1
SCHEMBL7013077 0.66 MAPT (0.52) HTR1ASLC6A2SLC6A4SLC6A3CCNB2

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-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed