SCHEMBL5884512

SCHEMBL5884512

CON=Cc1ccc(OCCCC2CCN(c3cccnn3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33
PTGES O14684 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2A P28223 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
SCHEMBL5884955 0.90 KCNH2 (0.40) NPY1RHRH3GAAMEN1KMT2A
SCHEMBL5883966 0.90 NPY1R (0.41) NPY1RGAAPOLBMAPK1SMN1; SMN2
SCHEMBL5884217 0.87 NPY1R (0.34) NPY1RHRH3GAAMEN1KMT2A
SCHEMBL5884356 0.86 HRH3 (0.38) HRH3GAAHPGDL3MBTL1MAPT
SCHEMBL5884766 0.85 NPY1R (0.41) NPY1RGAAMEN1KMT2AHPGD
SCHEMBL5884759 0.84 MEN1 (0.43) HRH3MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5884348 0.83 MAPT (0.37) HRH3L3MBTL1MAPTGPR119
SCHEMBL5884362 0.81 NR1I2 (0.38) GAAHPGDL3MBTL1MAPTGPR119
SCHEMBL5884090 0.81 NPY1R (0.44) NPY1RGAAPOLBMAPK1SMN1; SMN2
SCHEMBL5884268 0.79 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GPR119

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed