SCHEMBL3380289

SCHEMBL3380289

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)S(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 7/20 0.38
KDM4E B2RXH2 2/20 0.38
PKLR P30613 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.37
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3376046 0.86 HRH3 (0.44) HRH3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3377343 0.86 SOS1 (0.44) HRH3ALDH1A1KDM4E
SCHEMBL3378015 0.85 HRH3 (0.45) HRH3ALDH1A1KDM4E
SCHEMBL3380356 0.85 HRH3 (0.42) HRH3ALDH1A1LMNAL3MBTL1TSHR
SCHEMBL3377315 0.85 ALDH1A1 (0.41) ALDH1A1HTTHPGDPKMKDM4E
SCHEMBL3376233 0.84 HRH3 (0.42) HRH3ALDH1A1KDM4EGAALMNA
SCHEMBL3378936 0.83 HRH3 (0.48) HRH3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL3377859 0.83 HRH3 (0.44) HRH3ALDH1A1SMN1; SMN2
SCHEMBL3376760 0.83 ALPL (0.44) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL3377335 0.82 HRH3 (0.48) HRH3ALDH1A1KDM4E

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed