SCHEMBL9684843

SCHEMBL9684843

CCOCCn1c(CN2CCN(CCc3ccccn3)CC2)nc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.64
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.40
GRM2 Q14416 1/20 0.40

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 SCHEMBL9635834 0.92 SLC6A9 (0.58) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9686512 0.87 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9685926 0.87 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9635911 0.86 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9636330 0.86 SLC6A9 (0.68) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL10444904 0.85 SLC6A9 (0.67) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9634560 0.85 SLC6A9 (0.67) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9685783 0.83 SLC6A9 (0.64) SLC6A9CHRM5CHRM1MEN1KMT2A
SCHEMBL9635855 0.83 SLC6A9 (0.64) SLC6A9CHRM5CHRM1MEN1KMT2A
Oxalic Acid SCHEMBL9538801 0.82 SLC6A9 (0.47) SLC6A9MEN1KMT2AKDM4EHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011842-A Antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-30 US claimed
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