SCHEMBL11599476

SCHEMBL11599476

OCC(c1ccccc1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
SLC6A3 Q01959 5/20 0.59
CHRM2 P08172 5/20 0.57
SCN1A P35498 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN3A Q9NY46 3/20 0.57
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.51
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
CHRM1 P11229 4/20 0.46
HRH1 P35367 4/20 0.46
KCNH2 Q12809 4/20 0.46
HRH3 Q9Y5N1 4/20 0.46
ADRA2B P18089 3/20 0.46

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
SCHEMBL9530814 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL25219221 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL7614425 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL2066147 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL290075 0.80 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL17071880 0.80 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL4796436 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL6377512 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL1422822 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CHRM2SCN1A
SCHEMBL27511961 0.80 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CHRM2SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004288-A2 Phenoxyalkyl amines, pharmaceutical compositions containing them, and process for their preparation MERCK PATENT GmbH (DE) 1979-10-03 EP disclosed