SCHEMBL20180434

SCHEMBL20180434

C[C@@H]1C=CC=C(OCCN(C)C)C=C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTR7 P34969 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LTA4H P09960 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR1B P28222 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
RET P07949 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
SCHEMBL23640253 0.72 MAPT (0.37) MAPTHTR7HRH3LTA4HKEAP1
SCHEMBL18654343 0.72
SCHEMBL18843230 0.70 MRGPRX2 (0.30)
SCHEMBL21236845 0.62
SCHEMBL3861302 0.62 HRH3 (0.40) MAPTHTR7HRH3LTA4HKEAP1
SCHEMBL16660791 0.62 HTR7 (0.34) MAPTHTR7HRH3KEAP1NFE2L2
SCHEMBL14871865 0.61
SCHEMBL19120858 0.61
SCHEMBL24822688 0.61
SCHEMBL10039929 0.60

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
WO-2018090939-A1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND 上海瑛派药业有限公司 2018-05-24 WO disclosed