SCHEMBL7603640

SCHEMBL7603640

CCOC(=O)ON1CCN(CCOCC(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.34
HRH2 P25021 12/20 0.34
TACR1 P25103 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7612299 0.82 TACR1 (0.35) TACR1
SCHEMBL7609141 0.81 HRH2 (0.49) HRH1HRH2HRH3ALDH1A1
SCHEMBL7606236 0.79 MEN1 (0.48) HRH1HRH2TACR1ALDH1A1CYP2C19
SCHEMBL4710700 0.73 L3MBTL1 (0.53) TACR1HRH3ALDH1A1CYP1A2
SCHEMBL4709553 0.72 L3MBTL1 (0.57) HRH3ALDH1A1CYP1A2CYP2D6
SCHEMBL20325180 0.72 PAOX (0.44) TACR1HRH3ALDH1A1
SCHEMBL7604063 0.71 TACR1 (0.40) HRH1HRH2TACR1
SCHEMBL21421662 0.71 PAOX (0.46) HRH1HRH2HRH3ALDH1A1
SCHEMBL26384682 0.71 PAOX (0.46) TACR1HRH3ALDH1A1
SCHEMBL27379980 0.70 HRH1 (0.46) HRH1HRH2HRH3ALDH1A1

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-0927173-B1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB SA (BE) 2002-06-12 EP claimed