SCHEMBL9636330

SCHEMBL9636330

CCOCCn1c(CN2CCN(CCO)CC2)nc2cccnc21

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.68
KDM4E B2RXH2 1/20 0.55
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
HRH1 P35367 2/20 0.51
ALDH1A1 P00352 2/20 0.46
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
Oxalic Acid SCHEMBL9634587 0.95 SLC6A9 (0.65) SLC6A9KDM4ETSHRPOLBHRH1
SCHEMBL9685926 0.90 SLC6A9 (0.68) SLC6A9KDM4ETSHRALDH1A1CHRM5
SCHEMBL9686512 0.90 SLC6A9 (0.68) SLC6A9TSHRALDH1A1CHRM5CHRM1
SCHEMBL9635911 0.89 SLC6A9 (0.68) SLC6A9KDM4ETSHRHRH1ALDH1A1
SCHEMBL10444904 0.89 SLC6A9 (0.67) SLC6A9TSHRALDH1A1CHRM5CHRM1
SCHEMBL9634560 0.88 SLC6A9 (0.67) SLC6A9KDM4ETSHRHRH1ALDH1A1
SCHEMBL9685783 0.86 SLC6A9 (0.64) SLC6A9KDM4EALDH1A1CHRM5CHRM1
SCHEMBL9635855 0.86 SLC6A9 (0.64) SLC6A9KDM4ETSHRALDH1A1CHRM5
Hydrochloric Acid SCHEMBL9636312 0.86 SLC6A9 (0.64) SLC6A9KDM4ETSHRALDH1A1CHRM5
SCHEMBL9684843 0.86 SLC6A9 (0.64) SLC6A9KDM4ETSHRHRH1ALDH1A1

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 4 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
US-5086056-A Treating allergic diseases JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-04 US disclosed
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US disclosed
US-4946843-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-07 US disclosed