SCHEMBL11229432

SCHEMBL11229432

CN(C)CCC(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.63
SLC6A2 P23975 5/20 0.63
SLC6A4 P31645 5/20 0.63
SCN1A P35498 3/20 0.63
SCN2A Q99250 3/20 0.63
SCN3A Q9NY46 3/20 0.63
HRH1 P35367 6/20 0.61
HTR2A P28223 5/20 0.61
CHRM1 P11229 4/20 0.52
SLC6A3 Q01959 4/20 0.52
KCNH2 Q12809 4/20 0.52
HRH3 Q9Y5N1 4/20 0.52
ADRA2B P18089 3/20 0.52
LMNA P02545 3/20 0.52
CYP2D6 P10635 2/20 0.52
NFKB1 P19838 2/20 0.52
THPO P40225 2/20 0.52
DRD1 P21728 2/20 0.52
HTR2C P28335 2/20 0.52
CHRM5 P08912 2/20 0.52

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
Hydrochloric Acid SCHEMBL11226344 0.98 CHRM2 (0.61) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11228116 0.87 HRH1 (0.63) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11230021 0.87 CHRM2 (0.48) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL10956049 0.86 HRH1 (0.56) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11233845 0.85 CHRM2 (0.47) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11225540 0.84 CHRM2 (0.46) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11238126 0.84 CHRM2 (0.46) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL953334 0.84 CHRM2 (0.43) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL954734 0.83 CHRM2 (0.45) CHRM2SLC6A2SLC6A4SCN1ASCN2A
SCHEMBL11223097 0.83 SLC6A4 (0.45) CHRM2SLC6A2SLC6A4SCN1ASCN2A

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
US-4324792-A SKIN DISORDERS, HAY FEVER, ASTHMA GLAXO GROUP LIMITED (GB) 1982-04-13 US claimed
US-4324792-A SKIN DISORDERS, HAY FEVER, ASTHMA GLAXO GROUP LIMITED (GB) 1982-04-13 US disclosed