SCHEMBL8564488

SCHEMBL8564488

CC(O)N1CCOC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
HTR1A P08908 1/20 0.42
SLC18A3 Q16572 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
CYP2D6 P10635 4/20 0.37
KCNH2 Q12809 3/20 0.37
TSHR P16473 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL6444637 0.76 SLC18A3 (0.41) L3MBTL1HTR1ASLC18A3SMN1; SMN2ALDH1A1
SCHEMBL11504104 0.73 HTR1A (0.62) L3MBTL1HTR1ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL27762060 0.73 L3MBTL1 (0.50) L3MBTL1HTR1ASLC18A3SMN1; SMN2ALDH1A1
SCHEMBL11640851 0.70 HTR1A (0.46) L3MBTL1HTR1ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL8863550 0.69 HTR1A (0.45) L3MBTL1HTR1ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL22122580 0.68 L3MBTL1 (0.45) L3MBTL1HTR1ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL2661616 0.67 KCNH2 (0.56) SLC18A3SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL11503784 0.67 L3MBTL1 (0.55) L3MBTL1HTR1ASMN1; SMN2ALDH1A1SLC6A2
SCHEMBL11613972 0.67 L3MBTL1 (0.51) L3MBTL1HTR1ASLC18A3SMN1; SMN2ALDH1A1
SCHEMBL8034151 0.67 CHRNB2 (0.50) ALDH1A1TDP1

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-5747627-A MIXTURE OF OXAZOLIDINE COMPOUND AND ORGANIC SILICIC ACID OR P-TOLUENESULFONYL ISOCYANATE COMPOUND; STORAGE STABILITY THE YOKOHAMA RUBBER CO., LTD. (JP) 1998-05-05 US disclosed