SCHEMBL27749331

SCHEMBL27749331

NCc1c[c]ccc1C1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
HTR6 P50406 1/20 0.35
SLC6A4 P31645 4/20 0.33
HRH1 P35367 2/20 0.33
DRD2 P14416 5/20 0.33
KDM1A O60341 1/20 0.33
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL27926221 0.81
SCHEMBL1810814 0.81 SLC18A3 (0.48) SLC18A3HTR6SLC6A4HRH1DRD2
SCHEMBL27770383 0.75 DRD2 (0.43) SLC18A3HTR6SLC6A4HRH1DRD2
SCHEMBL1814758 0.73 SLC18A3 (0.70) SLC18A3DRD2KDM1AALDH1A1
SCHEMBL2183515 0.73 SLC18A3 (0.69) SLC18A3DRD2KDM1A
SCHEMBL27926225 0.69 AOC1 (0.30)
SCHEMBL21808291 0.69 SLC18A3 (0.58) SLC18A3DRD2ALDH1A1
SCHEMBL452972 0.68
SCHEMBL27832730 0.65 NUDT1 (0.37)
SCHEMBL3436371 0.65 SLC18A3 (0.61) SLC18A3HTR6SLC6A4DRD2

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-101432284-A Dihydropyrazolopyrimidinone derivative BANYU PHARMA CO LTD (JP) 2009-05-13 CN disclosed