SCHEMBL11234154

SCHEMBL11234154

ClCCC1(c2ccc(Cl)cc2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ICMT O60725 1/20 0.33
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 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
SCHEMBL11234430 0.93 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL1593327 0.89 ALDH1A1 (0.33) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL11242024 0.87 SLC6A4 (0.33) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL12134102 0.84 MAPK1 (0.38) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL11248214 0.83 SLC6A3 (0.34) SLC6A4SLC6A3MAOAMAOBICMT
SCHEMBL28011963 0.83 MAOA (0.36) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL7877014 0.83 SLC6A4 (0.41) SLC6A4SLC6A3ALDH1A1MAOAMAOB
SCHEMBL11242731 0.83 L3MBTL1 (0.34) SLC6A4SLC6A3SLC6A2ALDH1A1MAOA
SCHEMBL11240674 0.82 L3MBTL1 (0.45) ALDH1A1ICMTTSHRMAPK1
SCHEMBL11231543 0.82 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2ALDH1A1ICMT

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