SCHEMBL9684705

SCHEMBL9684705

C=CCN1CCN(Cc2nc3cccnc3n2CCOCC)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.63
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
GPR4 P46093 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.39

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 SCHEMBL9635828 0.93 SLC6A9 (0.58) SLC6A9HTR1AHTR2CGPR4ALDH1A1
SCHEMBL9686512 0.88 SLC6A9 (0.68) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9685926 0.88 SLC6A9 (0.68) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL10444904 0.87 SLC6A9 (0.67) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9635911 0.85 SLC6A9 (0.68) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9636330 0.85 SLC6A9 (0.68) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9685783 0.84 SLC6A9 (0.64) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9634560 0.84 SLC6A9 (0.67) SLC6A9ALDH1A1CHRM5CHRM1MEN1
SCHEMBL9685827 0.84 SLC6A9 (0.54) SLC6A9HTR1AHTR2CGPR4ALDH1A1
SCHEMBL9635855 0.84 SLC6A9 (0.64) SLC6A9ALDH1A1CHRM5CHRM1MEN1

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