SCHEMBL11240674

SCHEMBL11240674

ClCCC1(c2ccccc2)OCCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR1A P08908 3/20 0.36
ICMT O60725 4/20 0.35
ADRA1D P25100 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11252318 0.92 MAPK1 (0.40) L3MBTL1TSHRMAPK1SMN1; SMN2HTR1A
SCHEMBL1594432 0.89 L3MBTL1 (0.43) L3MBTL1TSHRMAPK1SMN1; SMN2HTR1A
SCHEMBL11250471 0.87 L3MBTL1 (0.42) L3MBTL1TSHRMAPK1SMN1; SMN2HTR1A
SCHEMBL12134272 0.83 L3MBTL1 (0.47) L3MBTL1TSHRMAPK1SMN1; SMN2HTR1A
SCHEMBL11234154 0.82 SLC6A4 (0.35) TSHRMAPK1ICMTALDH1A1
SCHEMBL11232065 0.82 ICMT (0.35) HTR1AICMT
SCHEMBL10339449 0.82 L3MBTL1 (0.46) L3MBTL1TSHRMAPK1SMN1; SMN2ICMT
SCHEMBL11242731 0.81 L3MBTL1 (0.34) L3MBTL1HTR1AICMTALDH1A1CYP3A4
SCHEMBL11248214 0.81 SLC6A3 (0.34) SMN1; SMN2ICMTMEN1KMT2A
SCHEMBL11250979 0.80 SLC6A3 (0.41) ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732339-B Dapoxetine hydrochloride intermediate and preparation method thereof 上海医药工业研究院 2019-06-04 CN disclosed
CN-105732339-A Dapoxetine intermediate and preparation method thereof 上海医药工业研究院 2016-07-06 CN disclosed
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed