SCHEMBL9685843

SCHEMBL9685843

CCOCCn1c(CN2CCN(CCc3c(C)nc4ccccn4c3=O)CC2)nc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
ACHE P22303 1/20 0.47
ADRA1A P35348 5/20 0.46
HTR1A P08908 2/20 0.46
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44

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
Fumaric Acid SCHEMBL9635938 0.84 SLC6A9 (0.51) SLC6A9HTR1ADRD2HTR2ASMN1; SMN2
SCHEMBL9684843 0.79 SLC6A9 (0.64) SLC6A9HRH1KDM4EMEN1KMT2A
SCHEMBL9685926 0.77 SLC6A9 (0.68) SLC6A9SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL9686512 0.77 SLC6A9 (0.68) SLC6A9SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9635911 0.77 SLC6A9 (0.68) SLC6A9HRH1SMN1; SMN2MAPTKDM4E
SCHEMBL9636330 0.77 SLC6A9 (0.68) SLC6A9HRH1KDM4EMEN1KMT2A
SCHEMBL10444904 0.76 SLC6A9 (0.67) SLC6A9SMN1; SMN2MEN1KMT2APKM
SCHEMBL9537069 0.76 HRH1 (0.43) SLC6A9ADRA1AHTR1AHTR2CDRD2
SCHEMBL9634560 0.76 SLC6A9 (0.67) SLC6A9HRH1SMN1; SMN2MAPTKDM4E
SCHEMBL9537351 0.75 HTR1A (0.56) SLC6A9ACHEADRA1AHTR1AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed