SCHEMBL11114070

SCHEMBL11114070

O=C1c2cccc3cccc(c23)C(=O)N1CC(O)CN1CCN(c2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.67
DRD2 P14416 2/20 0.67
HTR2A P28223 2/20 0.67
HTR7 P34969 2/20 0.67
HTR6 P50406 2/20 0.67
KDM4E B2RXH2 6/20 0.65
CASP1 P29466 1/20 0.65
CASP7 P55210 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 7/20 0.56
LMNA P02545 6/20 0.56
POLB P06746 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL11104845 0.91 ALDH1A1 (0.63) KDM4ECASP1CASP7SMN1; SMN2MAPT
SCHEMBL11836704 0.84 KDM4E (0.84) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11633831 0.83 HTR1A (0.85) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11108098 0.82 LMNA (0.63) DRD2KDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL11632064 0.81 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400933 0.80 HTR1A (0.63) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11845169 0.80 HTR1A (1.00) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11835918 0.80 HTR1A (1.00) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11107178 0.79 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL11104542 0.78 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6

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-4479954-A ANTIDIABETIC AGENTS EISAI CO., LTD. (JP) 1984-10-30 US disclosed