SCHEMBL9026872

SCHEMBL9026872

COc1c(Cc2c[nH]c3c(C)cccc23)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.38
PCSK9 Q8NBP7 1/20 0.36
LTA4H P09960 1/20 0.35
PLA2G2A P14555 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ADRB3 P13945 2/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
NR3C1 P04150 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
SCHEMBL9026147 0.88 KMT2A (0.40) HTR2AMAPT
SCHEMBL9027482 0.84 PCSK9 (0.38) PCSK9LTA4HPLA2G2ATRPM8MAPT
SCHEMBL9027221 0.83 PDE10A (0.36) LTA4HPLA2G2ATRPM8HTR2AMAPT
SCHEMBL9026402 0.83 GPR84 (0.45) LTA4HPLA2G2ATRPM8HTR2AMAPT
SCHEMBL9025363 0.83 LTA4H (0.46) LTA4HPLA2G2ATRPM8MAPT
SCHEMBL9026638 0.80 KMT2A (0.39) HTR2AMAPT
SCHEMBL9027273 0.79 KMT2A (0.38) HTR2AMAPT
SCHEMBL9027472 0.79 KMT2A (0.34)
SCHEMBL9026820 0.79 GPR84 (0.38) PCSK9HTR2ATUBB4ATUBBTUBA3C
SCHEMBL9025425 0.79 MAPT (0.39) TRPM8MAPTSMN1; SMN2NPSR1GABRA1

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
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed