SCHEMBL6827401

SCHEMBL6827401

Nn1c(C2CCC(O)CC2)cc(-n2ccnc2)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CD38 P28907 6/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ENPP2 Q13822 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IDO1 P14902 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CRBN Q96SW2 3/20 0.33
CYP3A4 P08684 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
TBXAS1 P24557 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL6827087 0.88 PGR (0.39) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6824827 0.87 PGR (0.38) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6827359 0.87 PGR (0.38) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6827314 0.87 HTR2A (0.44) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6827985 0.82 CD38 (0.38) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6924518 0.78 PGR (0.36) HTR2AHTR2CHTR2BCD38CYP11B1
SCHEMBL6827225 0.68 CD38 (0.43) HTR2AHTR2CHTR2BCD38LMNA
SCHEMBL7131529 0.66 MLLT3 (0.40) LMNAMAPTCYP3A4
SCHEMBL6827215 0.65 NR1I2 (0.38) CD38LMNACYP3A4
SCHEMBL16673120 0.63 CYP3A4 (0.62) CYP11B1CYP11B2LMNAMAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed