SCHEMBL11246022

SCHEMBL11246022

ClCCCCC1(c2ccc(Cl)cc2)OCCCO1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A2 P23975 3/20 0.34
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL11242024 0.93 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2ABCB11LMNA
SCHEMBL1593327 0.88 ALDH1A1 (0.33) SLC6A4SLC6A3SLC6A2ABCB11LMNA
SCHEMBL11234430 0.88 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2ALDH1A1CHRNA1
SCHEMBL11244126 0.86 L3MBTL1 (0.31)
SCHEMBL11243389 0.85 TSHR (0.37) SLC6A4MAPK1
SCHEMBL11240325 0.84 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2ALDH1A1CHRNA1
SCHEMBL11239210 0.82 RYR2 (0.35) SLC6A4SLC6A3LMNAALDH1A1CHRNA1
SCHEMBL11248890 0.81 ABCB11 (0.37) SLC6A4SLC6A3SLC6A2ABCB11LMNA
SCHEMBL11234154 0.81 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2LMNAMAPT
SCHEMBL11084729 0.81 SLC6A3 (0.33) SLC6A4SLC6A3SLC6A2

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
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