SCHEMBL9468388

SCHEMBL9468388

COc1cccc(CCN(C)CCCNC(=O)C/C=C/c2ccc3c(c2)OCO3)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL8828397 0.88 L3MBTL1 (0.60) KDM4EHPGDALDH1A1HTR2AHTR2C
SCHEMBL9045792 0.83 L3MBTL1 (0.53) KDM4EHPGDALDH1A1HTR2AHTR2C
SCHEMBL9047228 0.83 TRPM8 (0.45) KDM4EHPGDALDH1A1HTR2AHTR2C
SCHEMBL8828362 0.80 LMNA (0.59) HPGDALDH1A1GAASMN1; SMN2MTNR1A
SCHEMBL8828168 0.78 DRD3 (0.45) KDM4EMTNR1AMTNR1B
SCHEMBL8828131 0.77 CYP3A4 (0.52) KDM4EHPGDALDH1A1GAAMAPT
SCHEMBL8828277 0.76 KDM4E (0.66) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL8828285 0.76 NOS2 (0.46) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL8828235 0.76 MAPT (0.56) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL9158719 0.75 DRD3 (0.46) KDM4EMTNR1AMTNR1B

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
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed